N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-methoxy-5-methyl-benzyl)-methyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-15-6-9-20(28-3)16(12-15)14-21(2)18-8-7-17(13-19(18)23(24)25)29(26,27)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11,14H2,1-3H3