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

Systemtic Name: methyl 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(isopropylsulfonyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylate CAS Name: 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(ethylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylate Traditional Name: 1-[2,2-bis(isopropylsulfonyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C21H32N2O6S2 MolecularWeight: 472.61858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNCC1=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/C21H32N2O6S2/c1-7-22-11-17-12-23(19-9-8-16(10-18(17)19)21(24)29-6)13-20(30(25,26)14(2)3)31(27,28)15(4)5/h8-10,12,14-15,20,22H,7,11,13H2,1-6H3