N-[2-[(phenylmethyl)carbamoyl]phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(phenylmethyl)carbamoyl]phenyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(benzylcarbamoyl)phenyl]-1-benzylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[oxo-[(phenylmethyl)amino]methyl]phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(benzylcarbamoyl)phenyl]-1-benzylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(benzylcarbamoyl)phenyl]-1-benzylsulfonyl-isonipecotamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c31-26(23-15-17-30(18-16-23)35(33,34)20-22-11-5-2-6-12-22)29-25-14-8-7-13-24(25)27(32)28-19-21-9-3-1-4-10-21/h1-14,23H,15-20H2,(H,28,32)(H,29,31)