N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C26H35N3O3S2 MolecularWeight: 501.7044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCN(CC)CC)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCN(CC)CC)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H35N3O3S2/c1-5-21-12-15-23-24(19-21)33-26(27-23)29(17-16-28(6-2)7-3)25(30)9-8-18-34(31,32)22-13-10-20(4)11-14-22/h10-15,19H,5-9,16-18H2,1-4H3