N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(p-tolylsulfonyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-tosyl-butyramide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CCCN(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CCCN(C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H29N3O3S2/c1-18-11-13-19(14-12-18)31(28,29)17-6-10-22(27)26(16-7-15-25(2)3)23-24-20-8-4-5-9-21(20)30-23/h4-5,8-9,11-14H,6-7,10,15-17H2,1-3H3