methyl (1R,2S)-1-(methoxycarbonylamino)-2-[1-(phenylsulfonyl)indol-3-yl]cyclopropane-1-carboxylate

Systemtic Name: methyl (1R,2S)-1-(methoxycarbonylamino)-2-[1-(phenylsulfonyl)indol-3-yl]cyclopropane-1-carboxylate Openeye Name: methyl (1R,2S)-2-[1-(benzenesulfonyl)indol-3-yl]-1-(methoxycarbonylamino)cyclopropanecarboxylate CAS Name: (1R,2S)-2-[1-(benzenesulfonyl)-3-indolyl]-1-(methoxycarbonylamino)-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-[1-(benzenesulfonyl)indol-3-yl]-1-(methoxycarbonylamino)cyclopropane-1-carboxylate Traditional Name: (1R,2S)-2-(1-besylindol-3-yl)-1-(carbomethoxyamino)cyclopropanecarboxylic acid methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)NC(=O)OC

Isomeric SMILES

COC(=O)[C@]1(C[C@H]1C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)NC(=O)OC

InChI

InChI=1S/C21H20N2O6S/c1-28-19(24)21(22-20(25)29-2)12-17(21)16-13-23(18-11-7-6-10-15(16)18)30(26,27)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3,(H,22,25)/t17-,21+/m0/s1