methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonylethyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)-2-phenoxysulfonylethyl]indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]indole-5-carboxylic acid methyl ester Formula: C32H30N2O6S MolecularWeight: 570.6554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2CNCC3=CC=CC=C3)CC(C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CNCC3=CC=CC=C3)CC(C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C32H30N2O6S/c1-39-32(36)24-16-17-29-28(18-24)25(20-33-19-23-10-4-2-5-11-23)21-34(29)22-31(27-14-8-9-15-30(27)35)41(37,38)40-26-12-6-3-7-13-26/h2-18,21,31,33,35H,19-20,22H2,1H3