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

Systemtic Name: 3-nitro-4-(pentylamino)-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-(pentylamino)benzenesulfonamide CAS Name: 3-nitro-4-(pentylamino)-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-nitro-4-(pentylamino)-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-(amylamino)-N-isopropyl-3-nitro-benzenesulfonamide Formula: C14H23N3O4S MolecularWeight: 329.41512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H23N3O4S/c1-4-5-6-9-15-13-8-7-12(10-14(13)17(18)19)22(20,21)16-11(2)3/h7-8,10-11,15-16H,4-6,9H2,1-3H3