2-(4-butoxyphenyl)sulfonyl-1-piperidin-3-yl-azepan-3-amine

Systemtic Name: 2-(4-butoxyphenyl)sulfonyl-1-piperidin-3-yl-azepan-3-amine Openeye Name: 2-(4-butoxyphenyl)sulfonyl-1-(3-piperidyl)azepan-3-amine CAS Name: 2-(4-butoxyphenyl)sulfonyl-1-(3-piperidinyl)-3-azepanamine IUPAC Name: 2-(4-butoxyphenyl)sulfonyl-1-piperidin-3-ylazepan-3-amine Traditional Name: [2-(4-butoxyphenyl)sulfonyl-1-(3-piperidyl)azepan-3-yl]amine Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2C(CCCCN2C3CCCNC3)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2C(CCCCN2C3CCCNC3)N

InChI

InChI=1S/C21H35N3O3S/c1-2-3-15-27-18-9-11-19(12-10-18)28(25,26)21-20(22)8-4-5-14-24(21)17-7-6-13-23-16-17/h9-12,17,20-21,23H,2-8,13-16,22H2,1H3