N-[3-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-4-methoxy-phenyl]ethanamide

Systemtic Name: N-[3-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-4-methoxy-phenyl]ethanamide Openeye Name: N-[3-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-4-methoxy-phenyl]acetamide CAS Name: N-[3-[3-(1,3-benzothiazol-2-ylthio)propylsulfonylamino]-4-methoxyphenyl]acetamide IUPAC Name: N-[3-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-4-methoxyphenyl]acetamide Traditional Name: N-[3-[3-(1,3-benzothiazol-2-ylthio)propylsulfonylamino]-4-methoxy-phenyl]acetamide Formula: C19H21N3O4S3 MolecularWeight: 451.58274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N3O4S3/c1-13(23)20-14-8-9-17(26-2)16(12-14)22-29(24,25)11-5-10-27-19-21-15-6-3-4-7-18(15)28-19/h3-4,6-9,12,22H,5,10-11H2,1-2H3,(H,20,23)