N-(4-bromanyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C20H20BrN3O4S2 MolecularWeight: 510.4245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=CC=C4Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=CC=C4Br

InChI

InChI=1S/C20H20BrN3O4S2/c1-28-14-7-9-15(10-8-14)30(26,27)24-11-3-4-13(12-24)19(25)23-20-22-18-16(21)5-2-6-17(18)29-20/h2,5-10,13H,3-4,11-12H2,1H3,(H,22,23,25)