N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[(S)-(4-methoxyphenyl)-phenyl-methyl]amine Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5S/c1-28-17-10-8-16(9-11-17)21(15-6-4-3-5-7-15)22-19-13-12-18(29(2,26)27)14-20(19)23(24)25/h3-14,21-22H,1-2H3/t21-/m0/s1