N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethylsulfonyl-benzamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethylsulfonyl-benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethylsulfonyl-benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethylsulfonylbenzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethylsulfonylbenzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-esyl-benzamide Formula: C21H24ClN3O3S2 MolecularWeight: 466.01656

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O3S2/c1-4-30(27,28)17-9-6-15(7-10-17)20(26)25(13-5-12-24(2)3)21-23-18-11-8-16(22)14-19(18)29-21/h6-11,14H,4-5,12-13H2,1-3H3