methyl 4-[3-methyl-1-(phenylsulfonyl)indol-2-yl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[3-methyl-1-(phenylsulfonyl)indol-2-yl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[1-(benzenesulfonyl)-3-methyl-indol-2-yl]-1H-pyrrole-3-carboxylate CAS Name: 4-[1-(benzenesulfonyl)-3-methyl-2-indolyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[1-(benzenesulfonyl)-3-methylindol-2-yl]-1H-pyrrole-3-carboxylate Traditional Name: 4-(1-besyl-3-methyl-indol-2-yl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)C4=CNC=C4C(=O)OC

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)C4=CNC=C4C(=O)OC

InChI

InChI=1S/C21H18N2O4S/c1-14-16-10-6-7-11-19(16)23(28(25,26)15-8-4-3-5-9-15)20(14)17-12-22-13-18(17)21(24)27-2/h3-13,22H,1-2H3