methyl 3-[(phenoxysulfonylamino)methyl]-1-[2-(phenylsulfonyl)-2-propan-2-ylsulfonyl-ethyl]indole-5-carboxylate

Systemtic Name: methyl 3-[(phenoxysulfonylamino)methyl]-1-[2-(phenylsulfonyl)-2-propan-2-ylsulfonyl-ethyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-2-isopropylsulfonyl-ethyl]-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-2-propan-2-ylsulfonylethyl]-3-[(phenoxysulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-2-propan-2-ylsulfonylethyl]-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2-besyl-2-isopropylsulfonyl-ethyl)-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C28H30N2O9S3 MolecularWeight: 634.7408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O9S3/c1-20(2)40(32,33)27(41(34,35)24-12-8-5-9-13-24)19-30-18-22(25-16-21(28(31)38-3)14-15-26(25)30)17-29-42(36,37)39-23-10-6-4-7-11-23/h4-16,18,20,27,29H,17,19H2,1-3H3