2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-pyrrolidin-1-yl-hexan-1-one

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-pyrrolidin-1-yl-hexan-1-one Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-pyrrolidin-1-yl-hexan-1-one CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(1-pyrrolidinyl)-1-hexanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-pyrrolidin-1-ylhexan-1-one Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-pyrrolidino-hexan-1-one Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)N1CCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

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