methyl 1-[4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoyl]indole-3-carboxylate

Systemtic Name: methyl 1-[4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoyl]indole-3-carboxylate Openeye Name: methyl 1-[4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoyl]indole-3-carboxylate CAS Name: 1-[4-[methyl-(4-nitrophenyl)sulfonylamino]-1-oxobutyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[methyl-(4-nitrophenyl)sulfonylamino]butanoyl]indole-3-carboxylate Traditional Name: 1-[4-[methyl(nosyl)amino]butanoyl]indole-3-carboxylic acid methyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1C=C(C2=CC=CC=C21)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)N1C=C(C2=CC=CC=C21)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-22(32(29,30)16-11-9-15(10-12-16)24(27)28)13-5-8-20(25)23-14-18(21(26)31-2)17-6-3-4-7-19(17)23/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3