N-(3-imidazol-1-ylpropyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzamide Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCN3C=CN=C3)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCN3C=CN=C3)OC

InChI

InChI=1S/C20H28N4O4S/c1-16-6-3-4-12-24(16)29(26,27)19-14-17(7-8-18(19)28-2)20(25)22-9-5-11-23-13-10-21-15-23/h7-8,10,13-16H,3-6,9,11-12H2,1-2H3,(H,22,25)/t16-/m0/s1