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

Systemtic Name: cyclopropyl-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: cyclopropyl-[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-1,4-diazepan-1-yl]methanone CAS Name: cyclopropyl-[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopropyl-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: cyclopropyl-[4-[1-(2-mesylbenzyl)-4-piperidyl]-1,4-diazepan-1-yl]methanone Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCCN(CC3)C(=O)C4CC4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H33N3O3S/c1-29(27,28)21-6-3-2-5-19(21)17-23-13-9-20(10-14-23)24-11-4-12-25(16-15-24)22(26)18-7-8-18/h2-3,5-6,18,20H,4,7-17H2,1H3