3-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[2-methoxy-5-[(3-methyl-1-piperidyl)sulfonyl]phenyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[2-methoxy-5-(3-methylpiperidino)sulfonyl-phenyl]piperazino]sulfonylbenzonitrile Formula: C24H30N4O5S2 MolecularWeight: 518.6488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H30N4O5S2/c1-19-5-4-10-28(18-19)35(31,32)22-8-9-24(33-2)23(16-22)26-11-13-27(14-12-26)34(29,30)21-7-3-6-20(15-21)17-25/h3,6-9,15-16,19H,4-5,10-14,18H2,1-2H3