N-[3-(1,3-benzothiazol-2-yl)-1-(4-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-1-(4-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide Openeye Name: N-[1-(1,3-benzothiazol-2-ylmethyl)-2-(4-ethyl-1-piperidyl)-2-oxo-ethyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-1-(4-ethyl-1-piperidinyl)-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-1-(4-ethylpiperidin-1-yl)-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide Traditional Name: N-[1-(1,3-benzothiazol-2-ylmethyl)-2-(4-ethylpiperidino)-2-keto-ethyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide Formula: C28H36N4O3S2 MolecularWeight: 540.74044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1)C(=O)C(CC2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CC5=C4NCC(C5)(C)C

Isomeric SMILES

CCC1CCN(CC1)C(=O)C(CC2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CC5=C4NCC(C5)(C)C

InChI

InChI=1S/C28H36N4O3S2/c1-4-19-12-14-32(15-13-19)27(33)22(16-25-30-21-9-5-6-10-23(21)36-25)31-37(34,35)24-11-7-8-20-17-28(2,3)18-29-26(20)24/h5-11,19,22,29,31H,4,12-18H2,1-3H3