3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-4-methoxybenzenesulfonamide Traditional Name: 3-[4-(4-cyanobenzyl)-1,4-diazepane-1-carbonyl]-4-methoxy-benzenesulfonamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O4S/c1-29-20-8-7-18(30(23,27)28)13-19(20)21(26)25-10-2-9-24(11-12-25)15-17-5-3-16(14-22)4-6-17/h3-8,13H,2,9-12,15H2,1H3,(H2,23,27,28)