methyl 1-[2,2-bis(phenoxysulfonyl)ethyl]-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-[2,2-bis(phenoxysulfonyl)ethyl]-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(phenoxysulfonyl)ethyl]-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate CAS Name: 1-[2,2-bis(phenoxysulfonyl)ethyl]-3-[(phenoxysulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(phenoxysulfonyl)ethyl]-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate Traditional Name: 1-[2,2-bis(phenoxysulfonyl)ethyl]-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C31H28N2O11S3 MolecularWeight: 700.75582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2CNS(=O)(=O)OC3=CC=CC=C3)CC(S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CNS(=O)(=O)OC3=CC=CC=C3)CC(S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O11S3/c1-41-31(34)23-17-18-29-28(19-23)24(20-32-47(39,40)44-27-15-9-4-10-16-27)21-33(29)22-30(45(35,36)42-25-11-5-2-6-12-25)46(37,38)43-26-13-7-3-8-14-26/h2-19,21,30,32H,20,22H2,1H3