3-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methoxy-phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[2-methoxy-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[5-(4-benzylpiperidino)sulfonyl-2-methoxy-phenyl]piperazine-1-carbonyl]benzonitrile Formula: C31H34N4O4S MolecularWeight: 558.69106

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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)C5=CC=CC(=C5)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C31H34N4O4S/c1-39-30-11-10-28(40(37,38)35-14-12-25(13-15-35)20-24-6-3-2-4-7-24)22-29(30)33-16-18-34(19-17-33)31(36)27-9-5-8-26(21-27)23-32/h2-11,21-22,25H,12-20H2,1H3