N-[4-(1,4-diazepan-1-yl)-2-[ethyl(phenylsulfonyl)amino]phenyl]benzenesulfonamide hydrochloride

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(phenylsulfonyl)amino]phenyl]benzenesulfonamide hydrochloride Openeye Name: N-[2-[benzenesulfonyl(ethyl)amino]-4-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide hydrochloride CAS Name: N-[2-[benzenesulfonyl(ethyl)amino]-4-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide hydrochloride IUPAC Name: N-[2-[benzenesulfonyl(ethyl)amino]-4-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide hydrochloride Traditional Name: N-[2-[besyl(ethyl)amino]-4-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide hydrochloride Formula: C25H31ClN4O4S2 MolecularWeight: 551.12104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CCN(C1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H30N4O4S2.ClH/c1-2-29(35(32,33)23-12-7-4-8-13-23)25-20-21(28-18-9-16-26-17-19-28)14-15-24(25)27-34(30,31)22-10-5-3-6-11-22;/h3-8,10-15,20,26-27H,2,9,16-19H2,1H3;1H