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

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C18H17ClN2O4S2 MolecularWeight: 424.92158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H17ClN2O4S2/c1-25-14-8-7-13(19)17-16(14)21-18(26-17)20-15(22)9-10-27(23,24)11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,20,21,22)