3-(3,5-dimethylphenyl)sulfonyl-5-pyrrol-1-yl-1H-indole-2-carboxylate

Systemtic Name: 3-(3,5-dimethylphenyl)sulfonyl-5-pyrrol-1-yl-1H-indole-2-carboxylate Openeye Name: 3-(3,5-dimethylphenyl)sulfonyl-5-pyrrol-1-yl-1H-indole-2-carboxylate CAS Name: 3-(3,5-dimethylphenyl)sulfonyl-5-(1-pyrrolyl)-1H-indole-2-carboxylate IUPAC Name: 3-(3,5-dimethylphenyl)sulfonyl-5-pyrrol-1-yl-1H-indole-2-carboxylate Traditional Name: 3-(3,5-dimethylphenyl)sulfonyl-5-pyrrol-1-yl-1H-indole-2-carboxylate Formula: C21H17N2O4S- MolecularWeight: 393.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)N4C=CC=C4)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)N4C=CC=C4)C(=O)[O-])C

InChI

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