N-[(4-aminocarbonylphenyl)methyl]-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-N-methyl-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-N-methyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-N-methyl-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)N)C(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)N)C(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-25(17-19-7-9-20(10-8-19)22(24)27)23(28)21-11-14-26(15-12-21)31(29,30)16-13-18-5-3-2-4-6-18/h2-10,13,16,21H,11-12,14-15,17H2,1H3,(H2,24,27)/b16-13+