4-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(phenylsulfonyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(phenylsulfonyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(benzenesulfonyl)-4-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-1,4-diazepane-1-carboxamide CAS Name: N-(benzenesulfonyl)-4-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(benzenesulfonyl)-4-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-besyl-4-[1-(3-cyanobenzyl)-4-piperidyl]-1,4-diazepane-1-carboxamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H31N5O3S/c26-19-21-6-4-7-22(18-21)20-28-14-10-23(11-15-28)29-12-5-13-30(17-16-29)25(31)27-34(32,33)24-8-2-1-3-9-24/h1-4,6-9,18,23H,5,10-17,20H2,(H,27,31)