ethyl 6-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-(1-piperidylsulfonyl)-2-thienyl]methylamino]pyridine-3-carboxylate CAS Name: 6-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]pyridine-3-carboxylate Traditional Name: 6-[(5-piperidinosulfonyl-2-thienyl)methylamino]nicotinic acid ethyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)NCC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)NCC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H23N3O4S2/c1-2-25-18(22)14-6-8-16(19-12-14)20-13-15-7-9-17(26-15)27(23,24)21-10-4-3-5-11-21/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,20)