N-(2-dimethylaminoethyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-4-(3,5-dimethylpiperidino)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Formula: C25H31FN4O3S2 MolecularWeight: 518.667043

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN(C)C)C3=NC4=C(S3)C=C(C=C4)F)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN(C)C)C3=NC4=C(S3)C=C(C=C4)F)C

InChI

InChI=1S/C25H31FN4O3S2/c1-17-13-18(2)16-29(15-17)35(32,33)21-8-5-19(6-9-21)24(31)30(12-11-28(3)4)25-27-22-10-7-20(26)14-23(22)34-25/h5-10,14,17-18H,11-13,15-16H2,1-4H3