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

Systemtic Name: methyl 1-[2-(phenylsulfonyl)pentyl]-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)pentyl]-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)pentyl]-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)pentyl]-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besylpentyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCCC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCCC)S(=O)(=O)C3=CC=CC=C3

InChI

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