3-methyl-N-(4-methylsulfonyl-2-nitro-phenyl)-4-pyrrolidin-1-yl-aniline

Systemtic Name: 3-methyl-N-(4-methylsulfonyl-2-nitro-phenyl)-4-pyrrolidin-1-yl-aniline Openeye Name: 3-methyl-N-(4-methylsulfonyl-2-nitro-phenyl)-4-pyrrolidin-1-yl-aniline CAS Name: 3-methyl-N-(4-methylsulfonyl-2-nitrophenyl)-4-(1-pyrrolidinyl)aniline IUPAC Name: 3-methyl-N-(4-methylsulfonyl-2-nitrophenyl)-4-pyrrolidin-1-ylaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(3-methyl-4-pyrrolidino-phenyl)amine Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C18H21N3O4S/c1-13-11-14(5-8-17(13)20-9-3-4-10-20)19-16-7-6-15(26(2,24)25)12-18(16)21(22)23/h5-8,11-12,19H,3-4,9-10H2,1-2H3