N-(2-methyl-1,3-benzoxazol-5-yl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide CAS Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O4S/c1-19-27-24-17-22(10-11-25(24)34-19)28-26(31)21-8-5-9-23(16-21)35(32,33)30-14-12-29(13-15-30)18-20-6-3-2-4-7-20/h2-11,16-17H,12-15,18H2,1H3,(H,28,31)