6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonyl-2-methyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonyl-2-methyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one CAS Name: 6-[[4-(1-azepanylsulfonyl)-1-piperazinyl]-oxomethyl]-2-methyl-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one Traditional Name: 6-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one Formula: C20H28N4O4S2 MolecularWeight: 452.59072

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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)N4CCCCCC4

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H28N4O4S2/c1-15-19(25)21-17-14-16(6-7-18(17)29-15)20(26)22-10-12-24(13-11-22)30(27,28)23-8-4-2-3-5-9-23/h6-7,14-15H,2-5,8-13H2,1H3,(H,21,25)