(3S)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C20H23N3O4S2/c24-19(21-16-8-9-16)14-4-1-6-17(12-14)22-20(25)15-5-2-10-23(13-15)29(26,27)18-7-3-11-28-18/h1,3-4,6-7,11-12,15-16H,2,5,8-10,13H2,(H,21,24)(H,22,25)/t15-/m0/s1