(3-chloranyl-1-benzothiophen-2-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C18H16ClN3O6S2 MolecularWeight: 469.91914

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O6S2/c1-20-13-7-6-11(8-14(13)22(24)25)30(26,27)21-9-17(23)28-10-16-18(19)12-4-2-3-5-15(12)29-16/h2-8,20-21H,9-10H2,1H3