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

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]-3-keto-propyl]-4-nitro-benzenesulfonamide Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O5S/c20-15-2-1-3-17(14-15)22-10-12-23(13-11-22)19(25)8-9-21-30(28,29)18-6-4-16(5-7-18)24(26)27/h1-7,14,21H,8-13H2