N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azepane-1-sulfonamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azepane-1-sulfonamide Openeye Name: N-[1-(p-tolylsulfonyl)-4-piperidyl]azepane-1-sulfonamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-1-azepanesulfonamide IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azepane-1-sulfonamide Traditional Name: N-(1-tosyl-4-piperidyl)azepane-1-sulfonamide Formula: C18H29N3O4S2 MolecularWeight: 415.57056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NS(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NS(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H29N3O4S2/c1-16-6-8-18(9-7-16)26(22,23)20-14-10-17(11-15-20)19-27(24,25)21-12-4-2-3-5-13-21/h6-9,17,19H,2-5,10-15H2,1H3