2-[2-(3,5-dimethylphenyl)-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)-1H-indol-3-yl]ethyl-[4-[4-(methylsulfonylamino)phenyl]butyl]carbamic acid

Systemtic Name: 2-[2-(3,5-dimethylphenyl)-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)-1H-indol-3-yl]ethyl-[4-[4-(methylsulfonylamino)phenyl]butyl]carbamic acid Openeye Name: 2-[5-(1,1-dimethyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl-[4-[4-(methanesulfonamido)phenyl]butyl]carbamic acid CAS Name: 2-[2-(3,5-dimethylphenyl)-5-[2-methyl-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1H-indol-3-yl]ethyl-[4-[4-(methanesulfonamido)phenyl]butyl]carbamic acid IUPAC Name: 2-[2-(3,5-dimethylphenyl)-5-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-indol-3-yl]ethyl-[4-[4-(methanesulfonamido)phenyl]butyl]carbamic acid Traditional Name: 2-[2-(3,5-dimethylphenyl)-5-(2-keto-1,1-dimethyl-2-pyrrolidino-ethyl)-1H-indol-3-yl]ethyl-[4-[4-(methanesulfonamido)phenyl]butyl]carbamic acid Formula: C38H48N4O5S MolecularWeight: 672.87652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CCCC4)CCN(CCCCC5=CC=C(C=C5)NS(=O)(=O)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CCCC4)CCN(CCCCC5=CC=C(C=C5)NS(=O)(=O)C)C(=O)O)C

InChI

InChI=1S/C38H48N4O5S/c1-26-22-27(2)24-29(23-26)35-32(33-25-30(13-16-34(33)39-35)38(3,4)36(43)41-18-8-9-19-41)17-21-42(37(44)45)20-7-6-10-28-11-14-31(15-12-28)40-48(5,46)47/h11-16,22-25,39-40H,6-10,17-21H2,1-5H3,(H,44,45)