methyl 3-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-nitro-propan-2-yl]-1-(4-methylphenyl)sulfonyl-indole-4-carboxylate

Systemtic Name: methyl 3-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-nitro-propan-2-yl]-1-(4-methylphenyl)sulfonyl-indole-4-carboxylate Openeye Name: methyl 3-[1-[[tert-butoxycarbonyl(methyl)amino]methyl]-2-nitro-ethyl]-1-(p-tolylsulfonyl)indole-4-carboxylate CAS Name: 3-[1-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-nitropropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-nitropropan-2-yl]-1-(4-methylphenyl)sulfonylindole-4-carboxylate Traditional Name: 3-[1-[[tert-butoxycarbonyl(methyl)amino]methyl]-2-nitro-ethyl]-1-tosyl-indole-4-carboxylic acid methyl ester Formula: C26H31N3O8S MolecularWeight: 545.60464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)C(=O)OC)C(CN(C)C(=O)OC(C)(C)C)C[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)C(=O)OC)C(CN(C)C(=O)OC(C)(C)C)C[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O8S/c1-17-10-12-19(13-11-17)38(34,35)28-16-21(23-20(24(30)36-6)8-7-9-22(23)28)18(15-29(32)33)14-27(5)25(31)37-26(2,3)4/h7-13,16,18H,14-15H2,1-6H3