3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

Systemtic Name: 3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 3-[4-(4-cyanobenzyl)-1,4-diazepane-1-carbonyl]-N-(2-thenyl)benzenesulfonamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CS3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CS3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N4O3S2/c26-17-20-7-9-21(10-8-20)19-28-11-3-12-29(14-13-28)25(30)22-4-1-6-24(16-22)34(31,32)27-18-23-5-2-15-33-23/h1-2,4-10,15-16,27H,3,11-14,18-19H2