methyl 1-[2-(2-hydroxyphenyl)-2-(phenylsulfonyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-2-(phenylsulfonyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-2-(2-hydroxyphenyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-2-(2-hydroxyphenyl)ethyl]-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-2-(2-hydroxyphenyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-[2-besyl-2-(2-hydroxyphenyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5S/c1-3-15-29-17-21-18-30(25-14-13-20(16-24(21)25)28(32)35-2)19-27(23-11-7-8-12-26(23)31)36(33,34)22-9-5-4-6-10-22/h4-14,16,18,27,29,31H,3,15,17,19H2,1-2H3