1-(4-methylphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine Openeye Name: 1-(4-nitro-3-pyrrolidin-1-yl-phenyl)-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[4-nitro-3-(1-pyrrolidinyl)phenyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine Traditional Name: 1-(4-nitro-3-pyrrolidino-phenyl)-4-tosyl-piperazine Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-17-4-7-19(8-5-17)30(28,29)24-14-12-22(13-15-24)18-6-9-20(25(26)27)21(16-18)23-10-2-3-11-23/h4-9,16H,2-3,10-15H2,1H3