N-(2-acetamidoethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-acetamidoethyl)-1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(2-acetamidoethyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(2-acetamidoethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(2-acetamidoethyl)-1-[(5-bromo-2-thienyl)sulfonyl]nipecotamide Formula: C14H20BrN3O4S2 MolecularWeight: 438.3603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(=O)NCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C14H20BrN3O4S2/c1-10(19)16-6-7-17-14(20)11-3-2-8-18(9-11)24(21,22)13-5-4-12(15)23-13/h4-5,11H,2-3,6-9H2,1H3,(H,16,19)(H,17,20)