N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C20H20BrN3O4S2 MolecularWeight: 510.4245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

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