1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)piperidine-3-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)piperidine-3-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(3-methyl-4-pyrrolidino-phenyl)nipecotamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43)N5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43)N5CCCC5

InChI

InChI=1S/C24H28N4O3S/c1-17-15-19(10-11-21(17)27-12-4-5-13-27)25-24(29)18-7-6-14-28(16-18)23-20-8-2-3-9-22(20)32(30,31)26-23/h2-3,8-11,15,18H,4-7,12-14,16H2,1H3,(H,25,29)