2-[3-(azepan-1-ylsulfonyl)phenyl]-1,2-benzothiazol-3-one

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-1,2-benzothiazol-3-one Openeye Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-1,2-benzothiazol-3-one CAS Name: 2-[3-(1-azepanylsulfonyl)phenyl]-1,2-benzothiazol-3-one IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-1,2-benzothiazol-3-one Traditional Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-1,2-benzothiazol-3-one Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C19H20N2O3S2/c22-19-17-10-3-4-11-18(17)25-21(19)15-8-7-9-16(14-15)26(23,24)20-12-5-1-2-6-13-20/h3-4,7-11,14H,1-2,5-6,12-13H2