5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline

Systemtic Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline Openeye Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline CAS Name: 5-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-phenethylaniline IUPAC Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethylaniline Traditional Name: [5-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-nitro-phenyl]-phenethyl-amine Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H30N4O4S/c1-20-8-10-24(18-21(20)2)35(33,34)29-16-14-28(15-17-29)23-9-11-26(30(31)32)25(19-23)27-13-12-22-6-4-3-5-7-22/h3-11,18-19,27H,12-17H2,1-2H3