4-(1,4-diazepan-1-yl)-3-(methylsulfonylamino)-N-phenyl-benzenesulfonamide hydrochloride

Systemtic Name: 4-(1,4-diazepan-1-yl)-3-(methylsulfonylamino)-N-phenyl-benzenesulfonamide hydrochloride Openeye Name: 4-(1,4-diazepan-1-yl)-3-(methanesulfonamido)-N-phenyl-benzenesulfonamide hydrochloride CAS Name: 4-(1,4-diazepan-1-yl)-3-(methanesulfonamido)-N-phenylbenzenesulfonamide hydrochloride IUPAC Name: 4-(1,4-diazepan-1-yl)-3-(methanesulfonamido)-N-phenylbenzenesulfonamide hydrochloride Traditional Name: 4-(1,4-diazepan-1-yl)-3-(methanesulfonamido)-N-phenyl-benzenesulfonamide hydrochloride Formula: C18H25ClN4O4S2 MolecularWeight: 460.9985

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2)N3CCCNCC3.Cl

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2)N3CCCNCC3.Cl

InChI

InChI=1S/C18H24N4O4S2.ClH/c1-27(23,24)21-17-14-16(28(25,26)20-15-6-3-2-4-7-15)8-9-18(17)22-12-5-10-19-11-13-22;/h2-4,6-9,14,19-21H,5,10-13H2,1H3;1H