2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H31N5O3S/c26-18-21-7-9-22(10-8-21)19-28-11-4-12-29(16-15-28)20-25(31)27-23-5-3-6-24(17-23)34(32,33)30-13-1-2-14-30/h3,5-10,17H,1-2,4,11-16,19-20H2,(H,27,31)