N-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-3-nitro-benzenesulfonamide hydrochloride

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-3-nitro-benzenesulfonamide hydrochloride Openeye Name: N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide hydrochloride CAS Name: N-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-3-nitrobenzenesulfonamide hydrochloride IUPAC Name: N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide hydrochloride Traditional Name: N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide hydrochloride Formula: C18H21ClN4O5S MolecularWeight: 440.90114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H20N4O5S.ClH/c1-20-9-11-21(12-10-20)18(23)14-5-7-15(8-6-14)19-28(26,27)17-4-2-3-16(13-17)22(24)25;/h2-8,13,19H,9-12H2,1H3;1H