1-[5-bromanyl-7-[4-(4-methylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one

Systemtic Name: 1-[5-bromanyl-7-[4-(4-methylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: 1-[5-bromo-7-[[4-(4-methylpiperazine-1-carbonyl)-1-piperidyl]sulfonyl]indolin-1-yl]propan-1-one CAS Name: 1-[5-bromo-7-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]-1-piperidinyl]sulfonyl]-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: 1-[5-bromo-7-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: 1-[5-bromo-7-[4-(4-methylpiperazine-1-carbonyl)piperidino]sulfonyl-indolin-1-yl]propan-1-one Formula: C22H31BrN4O4S MolecularWeight: 527.47494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C)Br

InChI

InChI=1S/C22H31BrN4O4S/c1-3-20(28)27-9-6-17-14-18(23)15-19(21(17)27)32(30,31)26-7-4-16(5-8-26)22(29)25-12-10-24(2)11-13-25/h14-16H,3-13H2,1-2H3