4-methylsulfonyl-2-nitro-N-(3-phenylpropyl)aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N-(3-phenylpropyl)aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-(3-phenylpropyl)aniline CAS Name: 4-methylsulfonyl-2-nitro-N-(3-phenylpropyl)aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-(3-phenylpropyl)aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(3-phenylpropyl)amine Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-23(21,22)14-9-10-15(16(12-14)18(19)20)17-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3