N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-2-esyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)CC

InChI

InChI=1S/C22H27N3O4S2/c1-5-29-16-11-12-18-19(15-16)30-22(23-18)25(14-13-24(3)4)21(26)17-9-7-8-10-20(17)31(27,28)6-2/h7-12,15H,5-6,13-14H2,1-4H3