2-[4-[2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[methyl-(2-pyrrolidinobenzyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H31N5O3S/c1-27(19-22-9-2-4-10-23(22)28-12-6-7-13-28)20-25(31)29-14-16-30(17-15-29)34(32,33)24-11-5-3-8-21(24)18-26/h2-5,8-11H,6-7,12-17,19-20H2,1H3