N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-4-methylsulfonyl-N-phenethyl-benzamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-4-methylsulfonyl-N-phenethyl-benzamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-4-methylsulfonyl-N-phenethyl-benzamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-4-methylsulfonyl-N-phenethylbenzamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-4-methylsulfonyl-N-phenethylbenzamide Traditional Name: N-[1-(3-cyanobenzyl)-4-piperidyl]-4-mesyl-N-phenethyl-benzamide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C29H31N3O3S/c1-36(34,35)28-12-10-26(11-13-28)29(33)32(19-14-23-6-3-2-4-7-23)27-15-17-31(18-16-27)22-25-9-5-8-24(20-25)21-30/h2-13,20,27H,14-19,22H2,1H3