N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-2-[(E)-3-(2,4-dimethylphenyl)prop-2-enyl]-3H-thiophene-2-sulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-2-[(E)-3-(2,4-dimethylphenyl)prop-2-enyl]-3H-thiophene-2-sulfonamide Openeye Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-[(E)-3-(2,4-dimethylphenyl)allyl]-3H-thiophene-2-sulfonamide CAS Name: N-(4-bromo-3-methyl-5-isoxazolyl)-2-[(E)-3-(2,4-dimethylphenyl)prop-2-enyl]-3H-thiophene-2-sulfonamide IUPAC Name: N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(E)-3-(2,4-dimethylphenyl)prop-2-enyl]-3H-thiophene-2-sulfonamide Traditional Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-[(E)-3-(2,4-dimethylphenyl)allyl]-3H-thiophene-2-sulfonamide Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CCC2(CC=CS2)S(=O)(=O)NC3=C(C(=NO3)C)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/CC2(CC=CS2)S(=O)(=O)NC3=C(C(=NO3)C)Br)C

InChI

InChI=1S/C19H21BrN2O3S2/c1-13-7-8-16(14(2)12-13)6-4-9-19(10-5-11-26-19)27(23,24)22-18-17(20)15(3)21-25-18/h4-8,11-12,22H,9-10H2,1-3H3/b6-4+