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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3S/c30-26(27-24-12-6-7-13-25(24)28-17-8-1-2-9-18-28)23-14-19-29(20-15-23)33(31,32)21-16-22-10-4-3-5-11-22/h3-7,10-13,16,21,23H,1-2,8-9,14-15,17-20H2,(H,27,30)/b21-16+