(2S)-1-(5-bromanylthiophen-2-yl)sulfonyl-2-(1-methylpyrrol-2-yl)azepane

Systemtic Name: (2S)-1-(5-bromanylthiophen-2-yl)sulfonyl-2-(1-methylpyrrol-2-yl)azepane Openeye Name: (2S)-1-[(5-bromo-2-thienyl)sulfonyl]-2-(1-methylpyrrol-2-yl)azepane CAS Name: (2S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-2-(1-methyl-2-pyrrolyl)azepane IUPAC Name: (2S)-1-(5-bromothiophen-2-yl)sulfonyl-2-(1-methylpyrrol-2-yl)azepane Traditional Name: (2S)-1-[(5-bromo-2-thienyl)sulfonyl]-2-(1-methylpyrrol-2-yl)azepane Formula: C15H19BrN2O2S2 MolecularWeight: 403.35756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CN1C=CC=C1[C@@H]2CCCCCN2S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C15H19BrN2O2S2/c1-17-10-5-7-12(17)13-6-3-2-4-11-18(13)22(19,20)15-9-8-14(16)21-15/h5,7-10,13H,2-4,6,11H2,1H3/t13-/m0/s1