[4-[(4-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(4-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-nitro-4-(p-tolylmethylsulfonyl)phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[(4-methylphenyl)methylsulfonyl]-3-nitrophenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(4-methylphenyl)methylsulfonyl]-3-nitrophenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(4-methylbenzyl)sulfonyl-3-nitro-phenyl]-pyrrolidino-methanone Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-14-4-6-15(7-5-14)13-27(25,26)18-9-8-16(12-17(18)21(23)24)19(22)20-10-2-3-11-20/h4-9,12H,2-3,10-11,13H2,1H3