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

Systemtic Name: methyl 1-[2,2-bis(phenylsulfonyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(benzenesulfonyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-[2,2-bis(benzenesulfonyl)ethyl]-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(benzenesulfonyl)ethyl]-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2,2-dibesylethyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C28H30N2O6S2 MolecularWeight: 554.6776

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=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

CCCNCC1=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/C28H30N2O6S2/c1-3-16-29-18-22-19-30(26-15-14-21(17-25(22)26)28(31)36-2)20-27(37(32,33)23-10-6-4-7-11-23)38(34,35)24-12-8-5-9-13-24/h4-15,17,19,27,29H,3,16,18,20H2,1-2H3