methyl 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate

Systemtic Name: methyl 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate Openeye Name: methyl 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenylpent-4-ynoate Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid methyl ester Formula: C25H21NO6S MolecularWeight: 463.50234

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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)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C(CC#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H21NO6S/c1-30-25(27)22(9-5-8-18-6-3-2-4-7-18)26-33(28,29)21-13-10-19(11-14-21)20-12-15-23-24(16-20)32-17-31-23/h2-4,6-7,10-16,22,26H,9,17H2,1H3