N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-N-methyl-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-N-methyl-4-piperidinosulfonyl-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24BrN3O4S/c1-24(15-20(26)23-19-8-4-3-7-18(19)22)21(27)16-9-11-17(12-10-16)30(28,29)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,23,26)