2-azanyl-1-[2-(4-methoxyphenyl)carbonyl-4-(1-methylpiperidin-4-yl)-2-(2-methylsulfonylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-azanyl-1-[2-(4-methoxyphenyl)carbonyl-4-(1-methylpiperidin-4-yl)-2-(2-methylsulfonylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-amino-1-[2-(4-methoxybenzoyl)-4-(1-methyl-4-piperidyl)-2-(2-methylsulfonylphenyl)piperazin-1-yl]ethanone CAS Name: 2-amino-1-[2-[(4-methoxyphenyl)-oxomethyl]-4-(1-methyl-4-piperidinyl)-2-(2-methylsulfonylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-amino-1-[2-(4-methoxybenzoyl)-4-(1-methylpiperidin-4-yl)-2-(2-methylsulfonylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-amino-1-[2-(2-mesylphenyl)-4-(1-methyl-4-piperidyl)-2-p-anisoyl-piperazino]ethanone Formula: C27H36N4O5S MolecularWeight: 528.66354

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(C(C2)(C3=CC=CC=C3S(=O)(=O)C)C(=O)C4=CC=C(C=C4)OC)C(=O)CN

Isomeric SMILES

CN1CCC(CC1)N2CCN(C(C2)(C3=CC=CC=C3S(=O)(=O)C)C(=O)C4=CC=C(C=C4)OC)C(=O)CN

InChI

InChI=1S/C27H36N4O5S/c1-29-14-12-21(13-15-29)30-16-17-31(25(32)18-28)27(19-30,23-6-4-5-7-24(23)37(3,34)35)26(33)20-8-10-22(36-2)11-9-20/h4-11,21H,12-19,28H2,1-3H3