methyl 1-ethylsulfonyl-5-[ethylsulfonyl(pentanoyl)amino]-2-methyl-indole-3-carboxylate

Systemtic Name: methyl 1-ethylsulfonyl-5-[ethylsulfonyl(pentanoyl)amino]-2-methyl-indole-3-carboxylate Openeye Name: methyl 1-ethylsulfonyl-5-[ethylsulfonyl(pentanoyl)amino]-2-methyl-indole-3-carboxylate CAS Name: 1-ethylsulfonyl-5-[ethylsulfonyl(1-oxopentyl)amino]-2-methyl-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-ethylsulfonyl-5-[ethylsulfonyl(pentanoyl)amino]-2-methylindole-3-carboxylate Traditional Name: 1-esyl-5-[esyl(valeryl)amino]-2-methyl-indole-3-carboxylic acid methyl ester Formula: C20H28N2O7S2 MolecularWeight: 472.57552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C1=CC2=C(C=C1)N(C(=C2C(=O)OC)C)S(=O)(=O)CC)S(=O)(=O)CC

Isomeric SMILES

CCCCC(=O)N(C1=CC2=C(C=C1)N(C(=C2C(=O)OC)C)S(=O)(=O)CC)S(=O)(=O)CC

InChI

InChI=1S/C20H28N2O7S2/c1-6-9-10-18(23)22(31(27,28)8-3)15-11-12-17-16(13-15)19(20(24)29-5)14(4)21(17)30(25,26)7-2/h11-13H,6-10H2,1-5H3