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

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-benzothiazole Openeye Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-benzothiazole CAS Name: 2-[3-(1-azepanylsulfonyl)phenyl]-1,3-benzothiazole IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-benzothiazole Traditional Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-benzothiazole Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N2O2S2/c22-25(23,21-12-5-1-2-6-13-21)16-9-7-8-15(14-16)19-20-17-10-3-4-11-18(17)24-19/h3-4,7-11,14H,1-2,5-6,12-13H2