methyl 3-(ethylaminomethyl)-1-(3-phenyl-2-propan-2-ylsulfonyl-propyl)indole-5-carboxylate

Systemtic Name: methyl 3-(ethylaminomethyl)-1-(3-phenyl-2-propan-2-ylsulfonyl-propyl)indole-5-carboxylate Openeye Name: methyl 3-(ethylaminomethyl)-1-(2-isopropylsulfonyl-3-phenyl-propyl)indole-5-carboxylate CAS Name: 3-(ethylaminomethyl)-1-(3-phenyl-2-propan-2-ylsulfonylpropyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(ethylaminomethyl)-1-(3-phenyl-2-propan-2-ylsulfonylpropyl)indole-5-carboxylate Traditional Name: 3-(ethylaminomethyl)-1-(2-isopropylsulfonyl-3-phenyl-propyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C25H32N2O4S/c1-5-26-15-21-16-27(24-12-11-20(14-23(21)24)25(28)31-4)17-22(32(29,30)18(2)3)13-19-9-7-6-8-10-19/h6-12,14,16,18,22,26H,5,13,15,17H2,1-4H3