N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-nitroimidazol-1-yl)propanamide

Systemtic Name: N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylphenyl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H25N5O5S/c1-14-9-15(2)11-23(10-14)30(28,29)17-5-3-16(4-6-17)21-19(25)7-8-22-12-18(20-13-22)24(26)27/h3-6,12-15H,7-11H2,1-2H3,(H,21,25)/t14-,15-/m0/s1