1-(4-tert-butylphenyl)sulfonyl-4-ethoxy-azepane

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-ethoxy-azepane Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-ethoxy-azepane CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-ethoxyazepane IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-ethoxyazepane Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-ethoxy-azepane Formula: C18H29NO3S MolecularWeight: 339.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H29NO3S/c1-5-22-16-7-6-13-19(14-12-16)23(20,21)17-10-8-15(9-11-17)18(2,3)4/h8-11,16H,5-7,12-14H2,1-4H3