2-methyl-5-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[4-(pyrrolidinomethyl)benzyl]benzenesulfonamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C19H23N3O4S/c1-15-4-9-18(22(23)24)12-19(15)27(25,26)20-13-16-5-7-17(8-6-16)14-21-10-2-3-11-21/h4-9,12,20H,2-3,10-11,13-14H2,1H3