[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-pyrrolidino-methanone Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5S/c1-26(24,25)13-4-5-14(15(12-13)20(22)23)17-8-10-19(11-9-17)16(21)18-6-2-3-7-18/h4-5,12H,2-3,6-11H2,1H3