N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-benzyl-4-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: N-benzyl-4-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

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