2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H22N4O5S2/c1-23(20-17-9-2-3-10-18(17)30(26,27)22-20)14-19(25)21-15-7-6-8-16(13-15)31(28,29)24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,25)