methyl 1-[2-oxidanylidene-2-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methylamino]ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methylamino]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[(5-pyrrolidinosulfonyl-2-thienyl)methylamino]ethyl]indole-3-carboxylic acid methyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O5S2/c1-29-21(26)17-13-23(18-7-3-2-6-16(17)18)14-19(25)22-12-15-8-9-20(30-15)31(27,28)24-10-4-5-11-24/h2-3,6-9,13H,4-5,10-12,14H2,1H3,(H,22,25)