2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-chloranyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-chloranyl-4H-1,4-benzothiazin-3-one Openeye Name: 2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-6-chloro-4H-1,4-benzothiazin-3-one CAS Name: 2-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-oxoethyl]-6-chloro-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-6-chloro-4H-1,4-benzothiazin-3-one Traditional Name: 2-[2-[4-(azepan-1-ylsulfonyl)piperazino]-2-keto-ethyl]-6-chloro-4H-1,4-benzothiazin-3-one Formula: C20H27ClN4O4S2 MolecularWeight: 487.03578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C20H27ClN4O4S2/c21-15-5-6-17-16(13-15)22-20(27)18(30-17)14-19(26)23-9-11-25(12-10-23)31(28,29)24-7-3-1-2-4-8-24/h5-6,13,18H,1-4,7-12,14H2,(H,22,27)