2-bromanyl-N-[3-[methyl(phenyl)amino]propyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-[3-[methyl(phenyl)amino]propyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[3-(N-methylanilino)propyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-bromo-N-[3-(N-methylanilino)propyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[3-(N-methylanilino)propyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[3-(N-methylanilino)propyl]-5-piperidinosulfonyl-benzamide Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Br)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H28BrN3O3S/c1-25(18-9-4-2-5-10-18)14-8-13-24-22(27)20-17-19(11-12-21(20)23)30(28,29)26-15-6-3-7-16-26/h2,4-5,9-12,17H,3,6-8,13-16H2,1H3,(H,24,27)