4-[[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-[4-(4-chlorobenzyl)piperazino]-3-keto-propyl]amino]-3-nitro-benzenesulfonamide Formula: C20H24ClN5O5S MolecularWeight: 481.95306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H24ClN5O5S/c21-16-3-1-15(2-4-16)14-24-9-11-25(12-10-24)20(27)7-8-23-18-6-5-17(32(22,30)31)13-19(18)26(28)29/h1-6,13,23H,7-12,14H2,(H2,22,30,31)