N-[(E)-(4-bromanylthiophen-2-yl)methylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(E)-(4-bromanylthiophen-2-yl)methylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(E)-(4-bromo-2-thienyl)methyleneamino]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(E)-(4-bromo-2-thiophenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(E)-(4-bromo-2-thienyl)methyleneamino]-1-tosyl-isonipecotamide Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NN=CC3=CC(=CS3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N/N=C/C3=CC(=CS3)Br

InChI

InChI=1S/C18H20BrN3O3S2/c1-13-2-4-17(5-3-13)27(24,25)22-8-6-14(7-9-22)18(23)21-20-11-16-10-15(19)12-26-16/h2-5,10-12,14H,6-9H2,1H3,(H,21,23)/b20-11+