4-[(4-azanyl-3-methoxy-phenyl)amino]-N,N-dibutyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-azanyl-3-methoxy-phenyl)amino]-N,N-dibutyl-3-nitro-benzenesulfonamide Openeye Name: 4-(4-amino-3-methoxy-anilino)-N,N-dibutyl-3-nitro-benzenesulfonamide CAS Name: 4-(4-amino-3-methoxyanilino)-N,N-dibutyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-amino-3-methoxyanilino)-N,N-dibutyl-3-nitrobenzenesulfonamide Traditional Name: 4-(4-amino-3-methoxy-anilino)-N,N-dibutyl-3-nitro-benzenesulfonamide Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=C(C=C2)N)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=C(C=C2)N)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O5S/c1-4-6-12-24(13-7-5-2)31(28,29)17-9-11-19(20(15-17)25(26)27)23-16-8-10-18(22)21(14-16)30-3/h8-11,14-15,23H,4-7,12-13,22H2,1-3H3