2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-1-piperidin-1-yl-butan-1-one

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-1-piperidin-1-yl-butan-1-one Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-(1-piperidyl)butan-1-one CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-(1-piperidinyl)-1-butanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-piperidin-1-ylbutan-1-one Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-piperidino-butan-1-one Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)N1CCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H23N3O3S/c1-12(2)15(17(21)20-10-6-3-7-11-20)18-16-13-8-4-5-9-14(13)24(22,23)19-16/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,18,19)