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

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonyl-ethyl]-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2-(2-hydroxyphenyl)-2-isopropylsulfonyl-ethyl]-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonylethyl]-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonylethyl]-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-[2-(2-hydroxyphenyl)-2-isopropylsulfonyl-ethyl]-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-5-12-26-14-19-15-27(22-11-10-18(13-21(19)22)25(29)32-4)16-24(33(30,31)17(2)3)20-8-6-7-9-23(20)28/h6-11,13,15,17,24,26,28H,5,12,14,16H2,1-4H3