1-[4-(2-methylpropyl)phenyl]sulfonyl-2-(3-methylthiophen-2-yl)azepane

Systemtic Name: 1-[4-(2-methylpropyl)phenyl]sulfonyl-2-(3-methylthiophen-2-yl)azepane Openeye Name: 1-(4-isobutylphenyl)sulfonyl-2-(3-methyl-2-thienyl)azepane CAS Name: 1-[4-(2-methylpropyl)phenyl]sulfonyl-2-(3-methyl-2-thiophenyl)azepane IUPAC Name: 1-[4-(2-methylpropyl)phenyl]sulfonyl-2-(3-methylthiophen-2-yl)azepane Traditional Name: 1-(4-isobutylphenyl)sulfonyl-2-(3-methyl-2-thienyl)azepane Formula: C21H29NO2S2 MolecularWeight: 391.59046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2CCCCCN2S(=O)(=O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(SC=C1)C2CCCCCN2S(=O)(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C21H29NO2S2/c1-16(2)15-18-8-10-19(11-9-18)26(23,24)22-13-6-4-5-7-20(22)21-17(3)12-14-25-21/h8-12,14,16,20H,4-7,13,15H2,1-3H3