5-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N,N-diethyl-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N,N-diethyl-2-methyl-benzenesulfonamide Openeye Name: 5-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-N,N-diethyl-2-methyl-benzenesulfonamide CAS Name: 5-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N,N-diethyl-2-methylbenzenesulfonamide IUPAC Name: 5-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide Traditional Name: 5-[4-(4-cyanobenzyl)-1,4-diazepane-1-carbonyl]-N,N-diethyl-2-methyl-benzenesulfonamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C25H32N4O3S/c1-4-29(5-2)33(31,32)24-17-23(12-7-20(24)3)25(30)28-14-6-13-27(15-16-28)19-22-10-8-21(18-26)9-11-22/h7-12,17H,4-6,13-16,19H2,1-3H3