1-(3-phenylpropylsulfonyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-phenylpropylsulfonyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[2-(isopropylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[oxo-(propan-2-ylamino)methyl]phenyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-phenylpropylsulfonyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[2-(isopropylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4S/c1-19(2)26-25(30)22-12-6-7-13-23(22)27-24(29)21-14-16-28(17-15-21)33(31,32)18-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,19,21H,8,11,14-18H2,1-2H3,(H,26,30)(H,27,29)