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

Systemtic Name: 4-(1,4-diazepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide hydrochloride Openeye Name: 4-(1,4-diazepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide hydrochloride CAS Name: 4-(1,4-diazepan-1-yl)-3-nitro-N-phenylbenzenesulfonamide hydrochloride IUPAC Name: 4-(1,4-diazepan-1-yl)-3-nitro-N-phenylbenzenesulfonamide hydrochloride Traditional Name: 4-(1,4-diazepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide hydrochloride Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C17H20N4O4S.ClH/c22-21(23)17-13-15(26(24,25)19-14-5-2-1-3-6-14)7-8-16(17)20-11-4-9-18-10-12-20;/h1-3,5-8,13,18-19H,4,9-12H2;1H