2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-(2-pyridylmethyl)acetamide CAS Name: 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-(2-pyridylmethyl)acetamide Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C23H22N4O3S2/c1-17-26-21-11-10-20(13-22(21)31-17)32(29,30)27(15-18-7-3-2-4-8-18)16-23(28)25-14-19-9-5-6-12-24-19/h2-13H,14-16H2,1H3,(H,25,28)