methyl 4-[(S)-[(4-nitrophenyl)sulfonylamino]-phenyl-methyl]benzoate

Systemtic Name: methyl 4-[(S)-[(4-nitrophenyl)sulfonylamino]-phenyl-methyl]benzoate Openeye Name: methyl 4-[(S)-[(4-nitrophenyl)sulfonylamino]-phenyl-methyl]benzoate CAS Name: 4-[(S)-[(4-nitrophenyl)sulfonylamino]-phenylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(S)-[(4-nitrophenyl)sulfonylamino]-phenylmethyl]benzoate Traditional Name: 4-[(S)-(nosylamino)-phenyl-methyl]benzoic acid methyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c1-29-21(24)17-9-7-16(8-10-17)20(15-5-3-2-4-6-15)22-30(27,28)19-13-11-18(12-14-19)23(25)26/h2-14,20,22H,1H3/t20-/m0/s1