methyl 5-phenyl-2-[[4-(pyrrolidin-1-ylcarbonylamino)phenyl]sulfonylamino]pent-4-ynoate

Systemtic Name: methyl 5-phenyl-2-[[4-(pyrrolidin-1-ylcarbonylamino)phenyl]sulfonylamino]pent-4-ynoate Openeye Name: methyl 5-phenyl-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]pent-4-ynoate CAS Name: 2-[[4-[[oxo(1-pyrrolidinyl)methyl]amino]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]pent-4-ynoate Traditional Name: 5-phenyl-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]pent-4-ynoic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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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)N3CCCC3

Isomeric SMILES

COC(=O)C(CC#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCC3

InChI

InChI=1S/C23H25N3O5S/c1-31-22(27)21(11-7-10-18-8-3-2-4-9-18)25-32(29,30)20-14-12-19(13-15-20)24-23(28)26-16-5-6-17-26/h2-4,8-9,12-15,21,25H,5-6,11,16-17H2,1H3,(H,24,28)