2-[4-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[cyclopropyl(p-tolylmethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[cyclopropyl-(4-methylbenzyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4CC4

InChI

InChI=1S/C24H28N4O3S/c1-19-6-8-20(9-7-19)17-27(22-10-11-22)18-24(29)26-12-14-28(15-13-26)32(30,31)23-5-3-2-4-21(23)16-25/h2-9,22H,10-15,17-18H2,1H3