N-[(2-methylphenyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(2-methylphenyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 2-nitro-N-(o-tolylmethyl)-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(2-methylphenyl)methyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(2-methylphenyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-methylbenzyl)-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-14-6-2-3-7-15(14)13-19-17-9-8-16(12-18(17)21(22)23)26(24,25)20-10-4-5-11-20/h2-3,6-9,12,19H,4-5,10-11,13H2,1H3