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

Systemtic Name: methyl 1-[2,2-bis(phenylsulfonyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(benzenesulfonyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylate CAS Name: 1-[2,2-bis(benzenesulfonyl)ethyl]-3-(ethylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(benzenesulfonyl)ethyl]-3-(ethylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2,2-dibesylethyl)-3-(ethylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C27H28N2O6S2 MolecularWeight: 540.65102

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O6S2/c1-3-28-17-21-18-29(25-15-14-20(16-24(21)25)27(30)35-2)19-26(36(31,32)22-10-6-4-7-11-22)37(33,34)23-12-8-5-9-13-23/h4-16,18,26,28H,3,17,19H2,1-2H3