cyclobutyl-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]methanone

Systemtic Name: cyclobutyl-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]methanone Openeye Name: [4-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-cyclobutyl-methanone CAS Name: cyclobutyl-[4-[2-methoxy-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazin-1-yl]-cyclobutylmethanone Traditional Name: [4-[5-(4-benzylpiperidino)sulfonyl-2-methoxy-phenyl]piperazino]-cyclobutyl-methanone Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5CCC5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5CCC5

InChI

InChI=1S/C28H37N3O4S/c1-35-27-11-10-25(21-26(27)29-16-18-30(19-17-29)28(32)24-8-5-9-24)36(33,34)31-14-12-23(13-15-31)20-22-6-3-2-4-7-22/h2-4,6-7,10-11,21,23-24H,5,8-9,12-20H2,1H3