[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(8-quinolylsulfonyl)-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(8-quinolinylsulfonyl)-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone Traditional Name: (4-piperonylpiperazino)-[1-(8-quinolylsulfonyl)-4-piperidyl]methanone Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C27H30N4O5S/c32-27(30-15-13-29(14-16-30)18-20-6-7-23-24(17-20)36-19-35-23)22-8-11-31(12-9-22)37(33,34)25-5-1-3-21-4-2-10-28-26(21)25/h1-7,10,17,22H,8-9,11-16,18-19H2