(3S)-N-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: (3S)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1R)-2-amino-2-keto-1-phenyl-ethyl]-1-[(5-bromo-2-thienyl)sulfonyl]nipecotamide Formula: C18H20BrN3O4S2 MolecularWeight: 486.4031

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)N[C@H](C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H20BrN3O4S2/c19-14-8-9-15(27-14)28(25,26)22-10-4-7-13(11-22)18(24)21-16(17(20)23)12-5-2-1-3-6-12/h1-3,5-6,8-9,13,16H,4,7,10-11H2,(H2,20,23)(H,21,24)/t13-,16+/m0/s1