(3R)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C23H27N3O5S/c1-31-20-9-11-21(12-10-20)32(29,30)26-13-3-5-17(15-26)23(28)25-19-6-2-4-16(14-19)22(27)24-18-7-8-18/h2,4,6,9-12,14,17-18H,3,5,7-8,13,15H2,1H3,(H,24,27)(H,25,28)/t17-/m1/s1