methyl 3-(ethylaminomethyl)-1-(4-methyl-2-propan-2-ylsulfonyl-pentyl)indole-5-carboxylate

Systemtic Name: methyl 3-(ethylaminomethyl)-1-(4-methyl-2-propan-2-ylsulfonyl-pentyl)indole-5-carboxylate Openeye Name: methyl 3-(ethylaminomethyl)-1-(2-isopropylsulfonyl-4-methyl-pentyl)indole-5-carboxylate CAS Name: 3-(ethylaminomethyl)-1-(4-methyl-2-propan-2-ylsulfonylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(ethylaminomethyl)-1-(4-methyl-2-propan-2-ylsulfonylpentyl)indole-5-carboxylate Traditional Name: 3-(ethylaminomethyl)-1-(2-isopropylsulfonyl-4-methyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC(C)C)S(=O)(=O)C(C)C

Isomeric SMILES

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC(C)C)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H34N2O4S/c1-7-23-12-18-13-24(14-19(10-15(2)3)29(26,27)16(4)5)21-9-8-17(11-20(18)21)22(25)28-6/h8-9,11,13,15-16,19,23H,7,10,12,14H2,1-6H3