N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H17ClN2O3S2/c1-12-7-8-14(19)17-16(12)21-18(25-17)20-15(22)9-10-26(23,24)11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H,20,21,22)