3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-nitro-benzamide

Systemtic Name: 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-(4-mesylphenyl)ethyl]-3-methyl-4-nitro-benzamide Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(C)C2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@@H](C)C2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-11-10-14(6-9-16(11)19(21)22)17(20)18-12(2)13-4-7-15(8-5-13)25(3,23)24/h4-10,12H,1-3H3,(H,18,20)/t12-/m0/s1