4-methoxy-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-methoxy-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-(2-methyl-4-pyrrolidino-phenyl)-3-nitro-benzenesulfonamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-13-11-14(20-9-3-4-10-20)5-7-16(13)19-27(24,25)15-6-8-18(26-2)17(12-15)21(22)23/h5-8,11-12,19H,3-4,9-10H2,1-2H3