1-[3-(cyclopropylcarbamoyl)-5-[[3-(2-methylphenyl)phenyl]methylamino]phenyl]sulfonylpiperidine-3-carboxamide

Systemtic Name: 1-[3-(cyclopropylcarbamoyl)-5-[[3-(2-methylphenyl)phenyl]methylamino]phenyl]sulfonylpiperidine-3-carboxamide Openeye Name: 1-[3-(cyclopropylcarbamoyl)-5-[[3-(o-tolyl)phenyl]methylamino]phenyl]sulfonylpiperidine-3-carboxamide CAS Name: 1-[3-[(cyclopropylamino)-oxomethyl]-5-[[3-(2-methylphenyl)phenyl]methylamino]phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: 1-[3-(cyclopropylcarbamoyl)-5-[[3-(2-methylphenyl)phenyl]methylamino]phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: 1-[3-(cyclopropylcarbamoyl)-5-[[3-(o-tolyl)benzyl]amino]phenyl]sulfonylnipecotamide Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)CNC3=CC(=CC(=C3)C(=O)NC4CC4)S(=O)(=O)N5CCCC(C5)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)CNC3=CC(=CC(=C3)C(=O)NC4CC4)S(=O)(=O)N5CCCC(C5)C(=O)N

InChI

InChI=1S/C30H34N4O4S/c1-20-6-2-3-10-28(20)22-8-4-7-21(14-22)18-32-26-15-24(30(36)33-25-11-12-25)16-27(17-26)39(37,38)34-13-5-9-23(19-34)29(31)35/h2-4,6-8,10,14-17,23,25,32H,5,9,11-13,18-19H2,1H3,(H2,31,35)(H,33,36)