N-[4-(1,4-diazepan-1-yl)-2-(phenylsulfonylamino)phenyl]benzenesulfonamide hydrochloride

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-(phenylsulfonylamino)phenyl]benzenesulfonamide hydrochloride Openeye Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide hydrochloride CAS Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide hydrochloride IUPAC Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide hydrochloride Traditional Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide hydrochloride Formula: C23H27ClN4O4S2 MolecularWeight: 523.06788

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CNCCN(C1)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C23H26N4O4S2.ClH/c28-32(29,20-8-3-1-4-9-20)25-22-13-12-19(27-16-7-14-24-15-17-27)18-23(22)26-33(30,31)21-10-5-2-6-11-21;/h1-6,8-13,18,24-26H,7,14-17H2;1H