4-methyl-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-(4-pyrrolidinobenzyl)benzenesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-14-4-9-17(12-18(14)21(22)23)26(24,25)19-13-15-5-7-16(8-6-15)20-10-2-3-11-20/h4-9,12,19H,2-3,10-11,13H2,1H3