N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(4-nitroimidazol-1-yl)propanamide

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[4-(4-methylpiperidino)sulfonylphenyl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5S/c1-14-6-10-22(11-7-14)29(27,28)16-4-2-15(3-5-16)20-18(24)8-9-21-12-17(19-13-21)23(25)26/h2-5,12-14H,6-11H2,1H3,(H,20,24)