5-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-1-methyl-pyrrole-3-sulfonamide

Systemtic Name: 5-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-1-methyl-pyrrole-3-sulfonamide Openeye Name: 5-[4-[(5-bromo-2-thienyl)methyl]piperazine-1-carbonyl]-1-methyl-pyrrole-3-sulfonamide CAS Name: 5-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-methyl-3-pyrrolesulfonamide IUPAC Name: 5-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide Traditional Name: 5-[4-[(5-bromo-2-thienyl)methyl]piperazine-1-carbonyl]-1-methyl-pyrrole-3-sulfonamide Formula: C15H19BrN4O3S2 MolecularWeight: 447.37036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCN(CC2)CC3=CC=C(S3)Br)S(=O)(=O)N

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCN(CC2)CC3=CC=C(S3)Br)S(=O)(=O)N

InChI

InChI=1S/C15H19BrN4O3S2/c1-18-10-12(25(17,22)23)8-13(18)15(21)20-6-4-19(5-7-20)9-11-2-3-14(16)24-11/h2-3,8,10H,4-7,9H2,1H3,(H2,17,22,23)