3-methyl-N-[5-[2-[[2-methyl-4-(4-phenylimidazol-1-yl)butan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]-1-benzothiophene-2-sulfonamide

Systemtic Name: 3-methyl-N-[5-[2-[[2-methyl-4-(4-phenylimidazol-1-yl)butan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]-1-benzothiophene-2-sulfonamide Openeye Name: N-[5-[2-[[1,1-dimethyl-3-(4-phenylimidazol-1-yl)propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]-3-methyl-benzothiophene-2-sulfonamide CAS Name: N-[2-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(4-phenyl-1-imidazolyl)butan-2-yl]amino]ethyl]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide IUPAC Name: N-[2-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(4-phenylimidazol-1-yl)butan-2-yl]amino]ethyl]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide Traditional Name: N-[5-[2-[[1,1-dimethyl-3-(4-phenylimidazol-1-yl)propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]-3-methyl-benzothiophene-2-sulfonamide Formula: C31H34N4O4S2 MolecularWeight: 590.75606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)S(=O)(=O)NC3=C(C=CC(=C3)C(CNC(C)(C)CCN4C=C(N=C4)C5=CC=CC=C5)O)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)S(=O)(=O)NC3=C(C=CC(=C3)C(CNC(C)(C)CCN4C=C(N=C4)C5=CC=CC=C5)O)O

InChI

InChI=1S/C31H34N4O4S2/c1-21-24-11-7-8-12-29(24)40-30(21)41(38,39)34-25-17-23(13-14-27(25)36)28(37)18-33-31(2,3)15-16-35-19-26(32-20-35)22-9-5-4-6-10-22/h4-14,17,19-20,28,33-34,36-37H,15-16,18H2,1-3H3