3-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)propionamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O4S2/c1-29-19-10-9-16(31(27,28)25-13-5-2-6-14-25)15-18(19)23-21(26)11-12-22-24-17-7-3-4-8-20(17)30-22/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,26)