methyl 1-(2-phenyl-2-propan-2-ylsulfonyl-ethyl)-3-(propylaminomethyl)indole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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