1-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-bromo-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(3-bromo-N-tosyl-anilino)acetyl]isonipecotamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-15-5-7-19(8-6-15)30(28,29)25(18-4-2-3-17(22)13-18)14-20(26)24-11-9-16(10-12-24)21(23)27/h2-8,13,16H,9-12,14H2,1H3,(H2,23,27)