(5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 3-(2-methylindolin-1-yl)sulfonylbenzoate CAS Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Traditional Name: 3-(2-methylindolin-1-yl)sulfonylbenzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=NC=C(N4C)Cl

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=NC=C(N4C)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-14-10-15-6-3-4-9-18(15)25(14)30(27,28)17-8-5-7-16(11-17)21(26)29-13-20-23-12-19(22)24(20)2/h3-9,11-12,14H,10,13H2,1-2H3