methyl 1-[2-phenoxysulfonyl-2-(phenylsulfonyl)ethyl]-3-(phenylazanylmethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2-phenoxysulfonyl-2-(phenylsulfonyl)ethyl]-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-[2-(benzenesulfonyl)-2-phenoxysulfonyl-ethyl]indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-[2-(benzenesulfonyl)-2-phenoxysulfonylethyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-[2-(benzenesulfonyl)-2-phenoxysulfonylethyl]indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-besyl-2-phenoxysulfonyl-ethyl)indole-5-carboxylic acid methyl ester Formula: C31H28N2O7S2 MolecularWeight: 604.69322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2CNC3=CC=CC=C3)CC(S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CNC3=CC=CC=C3)CC(S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O7S2/c1-39-31(34)23-17-18-29-28(19-23)24(20-32-25-11-5-2-6-12-25)21-33(29)22-30(41(35,36)27-15-9-4-10-16-27)42(37,38)40-26-13-7-3-8-14-26/h2-19,21,30,32H,20,22H2,1H3