N-(3-methoxyphenyl)-3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]propane-1-sulfonamide

Systemtic Name: N-(3-methoxyphenyl)-3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]propane-1-sulfonamide Openeye Name: N-(3-methoxyphenyl)-3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]propane-1-sulfonamide CAS Name: N-(3-methoxyphenyl)-3-[(5-methyl-1,3-benzothiazol-2-yl)thio]-1-propanesulfonamide IUPAC Name: N-(3-methoxyphenyl)-3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]propane-1-sulfonamide Traditional Name: N-(3-methoxyphenyl)-3-[(5-methyl-1,3-benzothiazol-2-yl)thio]propane-1-sulfonamide Formula: C18H20N2O3S3 MolecularWeight: 408.558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)SCCCS(=O)(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)SCCCS(=O)(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H20N2O3S3/c1-13-7-8-17-16(11-13)19-18(25-17)24-9-4-10-26(21,22)20-14-5-3-6-15(12-14)23-2/h3,5-8,11-12,20H,4,9-10H2,1-2H3