3-chloranyl-4-methyl-5-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[3-(4-phenyl-1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-[3-(4-phenylpiperazino)propyl]benzenesulfonamide Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4O4S/c1-16-19(21)14-18(15-20(16)25(26)27)30(28,29)22-8-5-9-23-10-12-24(13-11-23)17-6-3-2-4-7-17/h2-4,6-7,14-15,22H,5,8-13H2,1H3