3-azanyl-4-chloranyl-N-ethyl-2,3-bis(oxidanyl)-1-(pyridin-2-ylamino)-2-(4-thiophen-2-ylbutylamino)cyclopentane-1-carboxamide

Systemtic Name: 3-azanyl-4-chloranyl-N-ethyl-2,3-bis(oxidanyl)-1-(pyridin-2-ylamino)-2-(4-thiophen-2-ylbutylamino)cyclopentane-1-carboxamide Openeye Name: 3-amino-4-chloro-N-ethyl-2,3-dihydroxy-1-(2-pyridylamino)-2-[4-(2-thienyl)butylamino]cyclopentanecarboxamide CAS Name: 3-amino-4-chloro-N-ethyl-2,3-dihydroxy-1-(2-pyridinylamino)-2-(4-thiophen-2-ylbutylamino)-1-cyclopentanecarboxamide IUPAC Name: 3-amino-4-chloro-N-ethyl-2,3-dihydroxy-1-(pyridin-2-ylamino)-2-(4-thiophen-2-ylbutylamino)cyclopentane-1-carboxamide Traditional Name: 3-amino-4-chloro-N-ethyl-2,3-dihydroxy-1-(2-pyridylamino)-2-[4-(2-thienyl)butylamino]cyclopentanecarboxamide Formula: C21H30ClN5O3S MolecularWeight: 468.0126

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(CC(C(C1(NCCCCC2=CC=CS2)O)(N)O)Cl)NC3=CC=CC=N3

Isomeric SMILES

CCNC(=O)C1(CC(C(C1(NCCCCC2=CC=CS2)O)(N)O)Cl)NC3=CC=CC=N3

InChI

InChI=1S/C21H30ClN5O3S/c1-2-24-18(28)19(27-17-10-4-5-11-25-17)14-16(22)20(23,29)21(19,30)26-12-6-3-8-15-9-7-13-31-15/h4-5,7,9-11,13,16,26,29-30H,2-3,6,8,12,14,23H2,1H3,(H,24,28)(H,25,27)