N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-benzyl-3-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: N-benzyl-3-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S2/c1-19-15-23-24(16-20(19)2)32-26(27-23)28(17-21-9-5-3-6-10-21)25(29)13-14-33(30,31)18-22-11-7-4-8-12-22/h3-12,15-16H,13-14,17-18H2,1-2H3