3-methyl-4-(4-nitrophenyl)sulfonyl-N-propyl-aniline

Systemtic Name: 3-methyl-4-(4-nitrophenyl)sulfonyl-N-propyl-aniline Openeye Name: 3-methyl-4-(4-nitrophenyl)sulfonyl-N-propyl-aniline CAS Name: 3-methyl-4-(4-nitrophenyl)sulfonyl-N-propylaniline IUPAC Name: 3-methyl-4-(4-nitrophenyl)sulfonyl-N-propylaniline Traditional Name: (3-methyl-4-nosyl-phenyl)-propyl-amine Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCNC1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O4S/c1-3-10-17-13-4-9-16(12(2)11-13)23(21,22)15-7-5-14(6-8-15)18(19)20/h4-9,11,17H,3,10H2,1-2H3