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

Systemtic Name: N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propionamide Formula: C17H14Cl2N2O3S2 MolecularWeight: 429.34066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC3=C(C=CC(=C3S2)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC3=C(C=CC(=C3S2)Cl)Cl

InChI

InChI=1S/C17H14Cl2N2O3S2/c18-12-6-7-13(19)16-15(12)21-17(25-16)20-14(22)8-9-26(23,24)10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,20,21,22)