N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)propanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C26H26N2O4S2 MolecularWeight: 494.62564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S2/c1-18-15-19(2)25-23(16-18)33-26(27-25)28(17-20-7-5-4-6-8-20)24(29)13-14-34(30,31)22-11-9-21(32-3)10-12-22/h4-12,15-16H,13-14,17H2,1-3H3