3-nitro-4-(pentan-3-ylamino)-N-phenyl-benzenesulfonamide

Systemtic Name: 3-nitro-4-(pentan-3-ylamino)-N-phenyl-benzenesulfonamide Openeye Name: 4-(1-ethylpropylamino)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 3-nitro-4-(pentan-3-ylamino)-N-phenylbenzenesulfonamide IUPAC Name: 3-nitro-4-(pentan-3-ylamino)-N-phenylbenzenesulfonamide Traditional Name: 4-(1-ethylpropylamino)-3-nitro-N-phenyl-benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-3-13(4-2)18-16-11-10-15(12-17(16)20(21)22)25(23,24)19-14-8-6-5-7-9-14/h5-13,18-19H,3-4H2,1-2H3