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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-benzyl-4-benzylsulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: N-benzyl-4-benzylsulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-benzylsulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C27H28N2O4S2 MolecularWeight: 508.65222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S2/c1-2-33-23-15-16-24-25(18-23)34-27(28-24)29(19-21-10-5-3-6-11-21)26(30)14-9-17-35(31,32)20-22-12-7-4-8-13-22/h3-8,10-13,15-16,18H,2,9,14,17,19-20H2,1H3