N-methyl-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide CAS Name: N-methyl-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-17-24(22,23)14-9-10-15(16(12-14)19(20)21)18-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,17-18H,5,8,11H2,1H3