N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(3-methyl-4-pyrrolidino-phenyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C21H27N3O3S2/c1-16-14-18(8-9-19(16)23-10-2-3-11-23)22-21(25)17-6-4-12-24(15-17)29(26,27)20-7-5-13-28-20/h5,7-9,13-14,17H,2-4,6,10-12,15H2,1H3,(H,22,25)