N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(5-chloranylthiophen-2-yl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(5-chloranylthiophen-2-yl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carboxamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinecarboxamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-[(5-chloro-2-thienyl)sulfonyl]pipecolinamide Formula: C22H25ClN4O5S3 MolecularWeight: 557.1057

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CCOC

InChI

InChI=1S/C22H25ClN4O5S3/c1-14(28)24-15-6-7-16-18(13-15)33-22(26(16)11-12-32-2)25-21(29)17-5-3-4-10-27(17)35(30,31)20-9-8-19(23)34-20/h6-9,13,17H,3-5,10-12H2,1-2H3,(H,24,28)