2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)N3CCSC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)N3CCSC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O3S2/c26-22(25-14-15-29-21-11-4-3-10-20(21)25)17-23-18-8-7-9-19(16-18)30(27,28)24-12-5-1-2-6-13-24/h3-4,7-11,16,23H,1-2,5-6,12-15,17H2