N-(2-azanyl-2-oxidanylidene-ethyl)-3-[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3-[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanamide Openeye Name: N-(2-amino-2-oxo-ethyl)-3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanamide CAS Name: N-(2-amino-2-oxoethyl)-3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanamide IUPAC Name: N-(2-amino-2-oxoethyl)-3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanamide Traditional Name: N-(2-amino-2-keto-ethyl)-3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propionamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)CCC(=O)NCC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)CCC(=O)NCC(=O)N)C

InChI

InChI=1S/C21H22ClN3O4S/c1-12-7-13(2)9-15(8-12)30(28,29)21-16-10-14(22)3-4-17(16)25-18(21)5-6-20(27)24-11-19(23)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H2,23,26)(H,24,27)