1-methylsulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine

Systemtic Name: 1-methylsulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine Openeye Name: 1-methylsulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine CAS Name: 1-methylsulfonyl-4-[4-nitro-3-(1-pyrrolidinyl)phenyl]piperazine IUPAC Name: 1-methylsulfonyl-4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine Traditional Name: 1-mesyl-4-(4-nitro-3-pyrrolidino-phenyl)piperazine Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C15H22N4O4S/c1-24(22,23)18-10-8-16(9-11-18)13-4-5-14(19(20)21)15(12-13)17-6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3