azepan-1-yl-[1-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-[(E)-styryl]sulfonylisonipecotoyl]-4-piperidyl]methanone Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H37N3O4S/c30-25(27-15-6-1-2-7-16-27)23-10-17-28(18-11-23)26(31)24-12-19-29(20-13-24)34(32,33)21-14-22-8-4-3-5-9-22/h3-5,8-9,14,21,23-24H,1-2,6-7,10-13,15-20H2/b21-14+