[4-[(2-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(2-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-nitro-4-(o-tolylmethylsulfonyl)phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[(2-methylphenyl)methylsulfonyl]-3-nitrophenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(2-methylphenyl)methylsulfonyl]-3-nitrophenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(2-methylbenzyl)sulfonyl-3-nitro-phenyl]-pyrrolidino-methanone Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-14-6-2-3-7-16(14)13-27(25,26)18-9-8-15(12-17(18)21(23)24)19(22)20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3