N-pentyl-N-[3-(phenylmethyl)sulfonyl-2-(piperazin-1-ylcarbonylamino)propanoyl]-1,3-benzoxazole-2-carboxamide

Systemtic Name: N-pentyl-N-[3-(phenylmethyl)sulfonyl-2-(piperazin-1-ylcarbonylamino)propanoyl]-1,3-benzoxazole-2-carboxamide Openeye Name: N-[3-benzylsulfonyl-2-(piperazine-1-carbonylamino)propanoyl]-N-pentyl-1,3-benzoxazole-2-carboxamide CAS Name: N-[1-oxo-2-[[oxo(1-piperazinyl)methyl]amino]-3-(phenylmethyl)sulfonylpropyl]-N-pentyl-1,3-benzoxazole-2-carboxamide IUPAC Name: N-[3-benzylsulfonyl-2-(piperazine-1-carbonylamino)propanoyl]-N-pentyl-1,3-benzoxazole-2-carboxamide Traditional Name: N-amyl-N-[3-benzylsulfonyl-2-(piperazine-1-carbonylamino)propanoyl]-1,3-benzoxazole-2-carboxamide Formula: C28H35N5O6S MolecularWeight: 569.6724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)C1=NC2=CC=CC=C2O1)C(=O)C(CS(=O)(=O)CC3=CC=CC=C3)NC(=O)N4CCNCC4

Isomeric SMILES

CCCCCN(C(=O)C1=NC2=CC=CC=C2O1)C(=O)C(CS(=O)(=O)CC3=CC=CC=C3)NC(=O)N4CCNCC4

InChI

InChI=1S/C28H35N5O6S/c1-2-3-9-16-33(27(35)25-30-22-12-7-8-13-24(22)39-25)26(34)23(31-28(36)32-17-14-29-15-18-32)20-40(37,38)19-21-10-5-4-6-11-21/h4-8,10-13,23,29H,2-3,9,14-20H2,1H3,(H,31,36)