N-(4-acetamidophenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-benzylsulfonyl-piperidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-benzylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-benzylsulfonyl-isonipecotamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-16(25)22-19-7-9-20(10-8-19)23-21(26)18-11-13-24(14-12-18)29(27,28)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,22,25)(H,23,26)