2-[(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1-methyl-pyrrole

Systemtic Name: 2-[(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1-methyl-pyrrole Openeye Name: 2-[(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1-methyl-pyrrole CAS Name: 2-[(2S)-1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2-pyrrolidinyl]-1-methylpyrrole IUPAC Name: 2-[(2S)-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole Traditional Name: 2-[(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1-methyl-pyrrole Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCCC2C3=CC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC[C@H]2C3=CC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-12-10-14(20(21)22)11-17(13(12)2)25(23,24)19-9-5-7-16(19)15-6-4-8-18(15)3/h4,6,8,10-11,16H,5,7,9H2,1-3H3/t16-/m0/s1