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

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-(methylsulfonylamino)phenyl]-4-nitro-benzenesulfonamide hydrochloride Openeye Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]-4-nitro-benzenesulfonamide hydrochloride CAS Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]-4-nitrobenzenesulfonamide hydrochloride IUPAC Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]-4-nitrobenzenesulfonamide hydrochloride Traditional Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]-4-nitro-benzenesulfonamide hydrochloride Formula: C18H24ClN5O6S2 MolecularWeight: 505.99606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H23N5O6S2.ClH/c1-30(26,27)20-18-13-15(22-11-2-9-19-10-12-22)5-8-17(18)21-31(28,29)16-6-3-14(4-7-16)23(24)25;/h3-8,13,19-21H,2,9-12H2,1H3;1H