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

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-benzyl-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)-N-(phenylmethyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: N-benzyl-3-benzylsulfonyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-benzylsulfonyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C25H23ClN2O3S2 MolecularWeight: 499.04472

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O3S2/c1-18-12-13-21(26)24-23(18)27-25(32-24)28(16-19-8-4-2-5-9-19)22(29)14-15-33(30,31)17-20-10-6-3-7-11-20/h2-13H,14-17H2,1H3