N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylbutanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylbutanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butyramide Formula: C20H22FN3O3S2 MolecularWeight: 435.535383

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N(C)CC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)N(C)CC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O3S2/c1-23(14-19-22-17-6-3-4-7-18(17)28-19)20(25)8-5-13-24(2)29(26,27)16-11-9-15(21)10-12-16/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3