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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O3S/c26-18-21-4-6-22(7-5-21)19-28-12-3-13-29(17-16-28)20-25(31)27-23-8-10-24(11-9-23)34(32,33)30-14-1-2-15-30/h4-11H,1-3,12-17,19-20H2,(H,27,31)