N-[2-(azepan-1-yl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)propyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)propyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)propyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CC(CNC(=O)C1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C23H35N3O3S/c1-20(25-14-7-2-3-8-15-25)19-24-23(27)22-11-16-26(17-12-22)30(28,29)18-13-21-9-5-4-6-10-21/h4-6,9-10,13,18,20,22H,2-3,7-8,11-12,14-17,19H2,1H3,(H,24,27)/b18-13+