N-[(1R)-3-methyl-1-phenyl-butyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-3-methyl-1-phenyl-butyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(1R)-3-methyl-1-phenylbutyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(1R)-3-methyl-1-phenylbutyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[(1R)-3-methyl-1-phenyl-butyl]amine Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O4S/c1-13(2)11-17(14-7-5-4-6-8-14)19-16-10-9-15(25(3,23)24)12-18(16)20(21)22/h4-10,12-13,17,19H,11H2,1-3H3/t17-/m1/s1