1-(2,3-dimethylphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-(2,3-dimethylphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-(2,3-dimethylphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine CAS Name: 1-(2,3-dimethylphenyl)-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-(2,3-dimethylphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(2,3-dimethylphenyl)-4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazine Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N4O4S/c1-17-6-5-7-20(18(17)2)23-12-14-24(15-13-23)21-9-8-19(16-22(21)26(27)28)31(29,30)25-10-3-4-11-25/h5-9,16H,3-4,10-15H2,1-2H3