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

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C25H23ClN2O4S2 MolecularWeight: 515.04412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H23ClN2O4S2/c1-17-8-13-21(26)24-23(17)27-25(33-24)28(16-18-6-4-3-5-7-18)22(29)14-15-34(30,31)20-11-9-19(32-2)10-12-20/h3-13H,14-16H2,1-2H3