3-nitro-4-(3-phenylpropylamino)-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-(3-phenylpropylamino)-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide CAS Name: 3-nitro-4-(3-phenylpropylamino)-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-nitro-4-(3-phenylpropylamino)-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-14(2)20-26(24,25)16-10-11-17(18(13-16)21(22)23)19-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,19-20H,6,9,12H2,1-2H3