2-methyl-5-nitro-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[3-[4-(1-pyrrolidinyl)phenyl]propyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[3-(4-pyrrolidinophenyl)propyl]benzenesulfonamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C20H25N3O4S/c1-16-6-9-19(23(24)25)15-20(16)28(26,27)21-12-4-5-17-7-10-18(11-8-17)22-13-2-3-14-22/h6-11,15,21H,2-5,12-14H2,1H3