methyl 5-phenyl-2-[[4-(phenylcarbamoylamino)phenyl]sulfonylamino]pent-4-ynoate

Systemtic Name: methyl 5-phenyl-2-[[4-(phenylcarbamoylamino)phenyl]sulfonylamino]pent-4-ynoate Openeye Name: methyl 5-phenyl-2-[[4-(phenylcarbamoylamino)phenyl]sulfonylamino]pent-4-ynoate CAS Name: 2-[[4-[[anilino(oxo)methyl]amino]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[4-(phenylcarbamoylamino)phenyl]sulfonylamino]pent-4-ynoate Traditional Name: 5-phenyl-2-[[4-(phenylcarbamoylamino)phenyl]sulfonylamino]pent-4-ynoic acid methyl ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O5S/c1-33-24(29)23(14-8-11-19-9-4-2-5-10-19)28-34(31,32)22-17-15-21(16-18-22)27-25(30)26-20-12-6-3-7-13-20/h2-7,9-10,12-13,15-18,23,28H,14H2,1H3,(H2,26,27,30)