methyl 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(isopropylsulfonyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-[2,2-bis(isopropylsulfonyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C22H34N2O6S2 MolecularWeight: 486.64516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O6S2/c1-7-10-23-12-18-13-24(20-9-8-17(11-19(18)20)22(25)30-6)14-21(31(26,27)15(2)3)32(28,29)16(4)5/h8-9,11,13,15-16,21,23H,7,10,12,14H2,1-6H3