5-chloranyl-N-(2-hydroxyethyl)-N-(phenylmethyl)-3-thiophen-2-yl-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-(2-hydroxyethyl)-N-(phenylmethyl)-3-thiophen-2-yl-1-benzothiophene-2-sulfonamide Openeye Name: N-benzyl-5-chloro-N-(2-hydroxyethyl)-3-(2-thienyl)benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-(2-hydroxyethyl)-N-(phenylmethyl)-3-thiophen-2-yl-1-benzothiophene-2-sulfonamide IUPAC Name: N-benzyl-5-chloro-N-(2-hydroxyethyl)-3-thiophen-2-yl-1-benzothiophene-2-sulfonamide Traditional Name: N-benzyl-5-chloro-N-(2-hydroxyethyl)-3-(2-thienyl)benzothiophene-2-sulfonamide Formula: C21H18ClNO3S3 MolecularWeight: 464.02052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H18ClNO3S3/c22-16-8-9-18-17(13-16)20(19-7-4-12-27-19)21(28-18)29(25,26)23(10-11-24)14-15-5-2-1-3-6-15/h1-9,12-13,24H,10-11,14H2