(3S)-1-[(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(2S)-3-methyl-2-(2-thienylsulfonylamino)butanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(2S)-3-methyl-1-oxo-2-(thiophen-2-ylsulfonylamino)butyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(2S)-3-methyl-2-(2-thienylsulfonylamino)butanoyl]-N-phenyl-nipecotamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@@H](C1)C(=O)NC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O4S2/c1-15(2)19(23-30(27,28)18-11-7-13-29-18)21(26)24-12-6-8-16(14-24)20(25)22-17-9-4-3-5-10-17/h3-5,7,9-11,13,15-16,19,23H,6,8,12,14H2,1-2H3,(H,22,25)/t16-,19-/m0/s1