1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-3-(2-nitroanilino)propan-1-one Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O5S/c1-16-7-8-18(15-17(16)2)31(29,30)24-13-11-23(12-14-24)21(26)9-10-22-19-5-3-4-6-20(19)25(27)28/h3-8,15,22H,9-14H2,1-2H3