N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propionamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CN=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CN=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S2/c1-18-10-11-21(32-2)23-24(18)33-25(27-23)28(16-20-9-6-13-26-15-20)22(29)12-14-34(30,31)17-19-7-4-3-5-8-19/h3-11,13,15H,12,14,16-17H2,1-2H3