6-[azanyl-[(4-sulfanylpyrrolidin-2-yl)methyl]carbamoyl]-N-[(3-chloranyl-4-oxidanyl-phenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 6-[azanyl-[(4-sulfanylpyrrolidin-2-yl)methyl]carbamoyl]-N-[(3-chloranyl-4-oxidanyl-phenyl)methyl]pyridine-3-carboxamide Openeye Name: 6-[amino-[(4-sulfanylpyrrolidin-2-yl)methyl]carbamoyl]-N-[(3-chloro-4-hydroxy-phenyl)methyl]pyridine-3-carboxamide CAS Name: 6-[[amino-[(4-mercapto-2-pyrrolidinyl)methyl]amino]-oxomethyl]-N-[(3-chloro-4-hydroxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-[amino-[(4-sulfanylpyrrolidin-2-yl)methyl]carbamoyl]-N-[(3-chloro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: 6-[amino-[(4-mercaptopyrrolidin-2-yl)methyl]carbamoyl]-N-(3-chloro-4-hydroxy-benzyl)nicotinamide Formula: C19H22ClN5O3S MolecularWeight: 435.92768

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1CN(C(=O)C2=NC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)O)Cl)N)S

Isomeric SMILES

C1C(CNC1CN(C(=O)C2=NC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)O)Cl)N)S

InChI

InChI=1S/C19H22ClN5O3S/c20-15-5-11(1-4-17(15)26)7-24-18(27)12-2-3-16(23-8-12)19(28)25(21)10-13-6-14(29)9-22-13/h1-5,8,13-14,22,26,29H,6-7,9-10,21H2,(H,24,27)