methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(4-chloro-3-nitro-phenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-phenyl)sulfonylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C18H16ClN3O6S MolecularWeight: 437.85414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O6S/c1-28-18(23)16(8-11-10-20-15-5-3-2-4-13(11)15)21-29(26,27)12-6-7-14(19)17(9-12)22(24)25/h2-7,9-10,16,20-21H,8H2,1H3/t16-/m0/s1