(3S)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1R)-2-morpholino-1-(p-tolyl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholinyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1R)-2-morpholino-1-(p-tolyl)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CN2CCOCC2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H31N3O4S2/c1-18-6-8-19(9-7-18)21(17-25-11-13-30-14-12-25)24-23(27)20-4-2-10-26(16-20)32(28,29)22-5-3-15-31-22/h3,5-9,15,20-21H,2,4,10-14,16-17H2,1H3,(H,24,27)/t20-,21-/m0/s1