2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 2-methyl-6-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 2-methyl-6-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one Traditional Name: 2-methyl-6-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C18H19N3O4S3 MolecularWeight: 437.55616

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O4S3/c1-12-17(22)19-14-11-13(4-5-15(14)27-12)18(23)20-6-8-21(9-7-20)28(24,25)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,19,22)