2-[4-[1-(3,5-dimethylphenyl)carbonylpiperidin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(3,5-dimethylphenyl)carbonylpiperidin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[1-[(3,5-dimethylphenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(3,5-dimethylbenzoyl)nipecotoyl]piperazino]sulfonylbenzonitrile Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

InChI

InChI=1S/C26H30N4O4S/c1-19-14-20(2)16-23(15-19)26(32)29-9-5-7-22(18-29)25(31)28-10-12-30(13-11-28)35(33,34)24-8-4-3-6-21(24)17-27/h3-4,6,8,14-16,22H,5,7,9-13,18H2,1-2H3