3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H22N4O5S2/c25-19(11-12-21-20-17-5-1-2-6-18(17)30(26,27)23-20)22-15-7-9-16(10-8-15)31(28,29)24-13-3-4-14-24/h1-2,5-10H,3-4,11-14H2,(H,21,23)(H,22,25)