(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-[(1S)-1-methylpropyl]phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-[(1S)-1-methylpropyl]phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

InChI

InChI=1S/C21H28N2O3S2/c1-4-15(2)17-8-10-19(11-9-17)22-21(24)18-6-5-13-23(14-18)28(25,26)20-12-7-16(3)27-20/h7-12,15,18H,4-6,13-14H2,1-3H3,(H,22,24)/t15-,18-/m0/s1