N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-piperidinosulfonyl-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24BrN3O4S/c1-15-12-17(22)8-9-19(15)24-20(26)14-23-21(27)16-6-5-7-18(13-16)30(28,29)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)(H,24,26)