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

Systemtic Name: methyl 3-(ethylaminomethyl)-1-[2-(phenylsulfonyl)butyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)butyl]-3-(ethylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)butyl]-3-(ethylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)butyl]-3-(ethylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besylbutyl)-3-(ethylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4S/c1-4-19(30(27,28)20-9-7-6-8-10-20)16-25-15-18(14-24-5-2)21-13-17(23(26)29-3)11-12-22(21)25/h6-13,15,19,24H,4-5,14,16H2,1-3H3