5-(azepan-1-ylsulfonyl)-N-(4-bromanyl-2-methyl-phenyl)thiophene-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromanyl-2-methyl-phenyl)thiophene-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-2-methyl-phenyl)thiophene-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-bromo-2-methylphenyl)-2-thiophenecarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-2-methylphenyl)thiophene-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-2-methyl-phenyl)thiophene-2-carboxamide Formula: C18H21BrN2O3S2 MolecularWeight: 457.40494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=C(S2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=C(S2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H21BrN2O3S2/c1-13-12-14(19)6-7-15(13)20-18(22)16-8-9-17(25-16)26(23,24)21-10-4-2-3-5-11-21/h6-9,12H,2-5,10-11H2,1H3,(H,20,22)