[3-azanyl-3-(phenylsulfonylamino)propanoyl] 4-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoate

Systemtic Name: [3-azanyl-3-(phenylsulfonylamino)propanoyl] 4-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoate Openeye Name: [3-amino-3-(benzenesulfonamido)propanoyl] 4-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoate CAS Name: 4-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid [3-amino-3-(benzenesulfonamido)-1-oxopropyl] ester IUPAC Name: [3-amino-3-(benzenesulfonamido)propanoyl] 4-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoate Traditional Name: 4-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid [3-amino-3-(benzenesulfonamido)propanoyl] ester Formula: C26H27N5O5S MolecularWeight: 521.58808

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NC2=C(C=CC(=C2)C(=O)OC(=O)CC(N)NS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CNC(=NC1)NC2=C(C=CC(=C2)C(=O)OC(=O)CC(N)NS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O5S/c27-23(31-37(34,35)20-10-5-2-6-11-20)17-24(32)36-25(33)19-12-13-21(18-8-3-1-4-9-18)22(16-19)30-26-28-14-7-15-29-26/h1-6,8-13,16,23,31H,7,14-15,17,27H2,(H2,28,29,30)