2-(1,3-benzothiazol-2-ylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-[1-(p-tolylsulfonyl)-4-piperidyl]propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-(1-tosyl-4-piperidyl)propionamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C(C)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C(C)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O3S2/c1-15-7-9-18(10-8-15)31(28,29)26-13-11-17(12-14-26)24-21(27)16(2)23-22-25-19-5-3-4-6-20(19)30-22/h3-10,16-17H,11-14H2,1-2H3,(H,23,25)(H,24,27)