5-chloranyl-N-[4-(hydroxymethyl)-2-methylsulfonyl-phenyl]-3-methyl-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[4-(hydroxymethyl)-2-methylsulfonyl-phenyl]-3-methyl-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-N-[4-(hydroxymethyl)-2-methylsulfonyl-phenyl]-3-methyl-benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-[4-(hydroxymethyl)-2-methylsulfonylphenyl]-3-methyl-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-N-[4-(hydroxymethyl)-2-methylsulfonylphenyl]-3-methyl-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-(2-mesyl-4-methylol-phenyl)-3-methyl-benzothiophene-2-sulfonamide Formula: C17H16ClNO5S3 MolecularWeight: 445.96064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)CO)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)CO)S(=O)(=O)C

InChI

InChI=1S/C17H16ClNO5S3/c1-10-13-8-12(18)4-6-15(13)25-17(10)27(23,24)19-14-5-3-11(9-20)7-16(14)26(2,21)22/h3-8,19-20H,9H2,1-2H3