5-(4-chloranyl-2-nitro-phenyl)-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]furan-2-carboxamide

Systemtic Name: 5-(4-chloranyl-2-nitro-phenyl)-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]furan-2-carboxamide Openeye Name: 5-(4-chloro-2-nitro-phenyl)-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]furan-2-carboxamide CAS Name: 5-(4-chloro-2-nitrophenyl)-N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]-2-furancarboxamide IUPAC Name: 5-(4-chloro-2-nitrophenyl)-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]furan-2-carboxamide Traditional Name: 5-(4-chloro-2-nitro-phenyl)-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]-2-furamide Formula: C27H28ClN5O6S MolecularWeight: 586.05912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C27H28ClN5O6S/c28-18-4-5-19(20(17-18)33(37)38)21-6-7-22(39-21)24(34)30-27(8-10-29-11-9-27)26(36)32-13-2-12-31(14-15-32)25(35)23-3-1-16-40-23/h1,3-7,16-17,29H,2,8-15H2,(H,30,34)