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

Systemtic Name: methyl 3-(ethylaminomethyl)-1-[2-phenoxysulfonyl-2-(phenylsulfonyl)ethyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-2-phenoxysulfonyl-ethyl]-3-(ethylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-2-phenoxysulfonylethyl]-3-(ethylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-2-phenoxysulfonylethyl]-3-(ethylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besyl-2-phenoxysulfonyl-ethyl)-3-(ethylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C27H28N2O7S2 MolecularWeight: 556.65042

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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)OC4=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)OC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O7S2/c1-3-28-17-21-18-29(25-15-14-20(16-24(21)25)27(30)35-2)19-26(37(31,32)23-12-8-5-9-13-23)38(33,34)36-22-10-6-4-7-11-22/h4-16,18,26,28H,3,17,19H2,1-2H3