(2S)-2-(1-adamantylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O4S/c1-12(27-20-9-13-5-14(10-20)7-15(6-13)11-20)19(23)21-17-4-3-16(26-2)8-18(17)22(24)25/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H,21,23)/t12-,13?,14?,15?,20?/m0/s1