1-[4-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonylphenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonylphenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-[3-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylpiperazino]ethanone Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCC[C@@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H33N3O5S/c1-20(30)27-15-17-28(18-16-27)35(32,33)24-8-6-7-22(19-24)26(31)29-14-5-3-4-9-25(29)21-10-12-23(34-2)13-11-21/h6-8,10-13,19,25H,3-5,9,14-18H2,1-2H3/t25-/m1/s1