methyl 1-(2-propan-2-ylsulfonylbutyl)-3-(propylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-(2-propan-2-ylsulfonylbutyl)-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-(2-isopropylsulfonylbutyl)-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-(2-propan-2-ylsulfonylbutyl)-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-propan-2-ylsulfonylbutyl)-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-isopropylsulfonylbutyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-6-10-22-12-17-13-23(14-18(7-2)28(25,26)15(3)4)20-9-8-16(11-19(17)20)21(24)27-5/h8-9,11,13,15,18,22H,6-7,10,12,14H2,1-5H3