N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)benzamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-4-methylsulfonyl-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: N-[1-(3-cyanobenzyl)-4-piperidyl]-4-mesyl-N-(2-pyrrolidinoethyl)benzamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCN2CCCC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCN2CCCC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H34N4O3S/c1-35(33,34)26-9-7-24(8-10-26)27(32)31(18-17-29-13-2-3-14-29)25-11-15-30(16-12-25)21-23-6-4-5-22(19-23)20-28/h4-10,19,25H,2-3,11-18,21H2,1H3