[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-1,4-diazepan-1-yl]-morpholino-methanone CAS Name: [4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1,4-diazepan-1-yl]-(4-morpholinyl)methanone IUPAC Name: [4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[1-(2-mesylbenzyl)-4-piperidyl]-1,4-diazepan-1-yl]-morpholino-methanone Formula: C23H36N4O4S MolecularWeight: 464.62134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C23H36N4O4S/c1-32(29,30)22-6-3-2-5-20(22)19-24-11-7-21(8-12-24)25-9-4-10-26(14-13-25)23(28)27-15-17-31-18-16-27/h2-3,5-6,21H,4,7-19H2,1H3