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

Systemtic Name: 2-(4-butoxyphenyl)sulfonyl-1-piperidin-4-yl-azepan-3-amine Openeye Name: 2-(4-butoxyphenyl)sulfonyl-1-(4-piperidyl)azepan-3-amine CAS Name: 2-(4-butoxyphenyl)sulfonyl-1-(4-piperidinyl)-3-azepanamine IUPAC Name: 2-(4-butoxyphenyl)sulfonyl-1-piperidin-4-ylazepan-3-amine Traditional Name: [2-(4-butoxyphenyl)sulfonyl-1-(4-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(CCCCN2C3CCNCC3)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2C(CCCCN2C3CCNCC3)N

InChI

InChI=1S/C21H35N3O3S/c1-2-3-16-27-18-7-9-19(10-8-18)28(25,26)21-20(22)6-4-5-15-24(21)17-11-13-23-14-12-17/h7-10,17,20-21,23H,2-6,11-16,22H2,1H3