N-[(E)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(E)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(E)-(3-bromophenyl)methyleneamino]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(E)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(E)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(E)-(3-bromobenzylidene)amino]-1-tosyl-isonipecotamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-15-5-7-19(8-6-15)28(26,27)24-11-9-17(10-12-24)20(25)23-22-14-16-3-2-4-18(21)13-16/h2-8,13-14,17H,9-12H2,1H3,(H,23,25)/b22-14+