methyl 3-(phenylsulfonylaminomethyl)-1-(2-propylpentyl)indole-5-carboxylate

Systemtic Name: methyl 3-(phenylsulfonylaminomethyl)-1-(2-propylpentyl)indole-5-carboxylate Openeye Name: methyl 3-(benzenesulfonamidomethyl)-1-(2-propylpentyl)indole-5-carboxylate CAS Name: 3-(benzenesulfonamidomethyl)-1-(2-propylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonamidomethyl)-1-(2-propylpentyl)indole-5-carboxylate Traditional Name: 3-(benzenesulfonamidomethyl)-1-(2-propylpentyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(CCC)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)C3=CC=CC=C3

InChI

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