N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-benzyl-4-benzylsulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: N-benzyl-4-benzylsulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-benzylsulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3S2/c1-20-10-8-15-23-25(20)27-26(32-23)28(18-21-11-4-2-5-12-21)24(29)16-9-17-33(30,31)19-22-13-6-3-7-14-22/h2-8,10-15H,9,16-19H2,1H3