N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-chloro-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-1-(2-chloro-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C24H32ClN3O5S MolecularWeight: 510.04598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H32ClN3O5S/c1-15(24-12-16-8-17(13-24)10-18(9-16)14-24)26-23(29)19-4-6-27(7-5-19)34(32,33)22-11-20(28(30)31)2-3-21(22)25/h2-3,11,15-19H,4-10,12-14H2,1H3,(H,26,29)/t15-,16?,17?,18?,24?/m0/s1