[2-(4-methoxyphenyl)azepan-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: [2-(4-methoxyphenyl)azepan-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: [1-(4-isopropylphenyl)sulfonyl-4-piperidyl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: [2-(4-methoxyphenyl)-1-azepanyl]-[1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: [2-(4-methoxyphenyl)azepan-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-p-cumenylsulfonyl-4-piperidyl)methanone Formula: C28H38N2O4S MolecularWeight: 498.67732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H38N2O4S/c1-21(2)22-10-14-26(15-11-22)35(32,33)29-19-16-24(17-20-29)28(31)30-18-6-4-5-7-27(30)23-8-12-25(34-3)13-9-23/h8-15,21,24,27H,4-7,16-20H2,1-3H3