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

Systemtic Name: methyl 1-[2-(phenylsulfonyl)butyl]-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)butyl]-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)butyl]-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)butyl]-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besylbutyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-4-13-25-15-19-16-26(23-12-11-18(14-22(19)23)24(27)30-3)17-20(5-2)31(28,29)21-9-7-6-8-10-21/h6-12,14,16,20,25H,4-5,13,15,17H2,1-3H3