ditert-butyl 2-[[4-(4-carbamimidoylphenoxy)carbonylphenyl]sulfonylamino]butanedioate

Systemtic Name: ditert-butyl 2-[[4-(4-carbamimidoylphenoxy)carbonylphenyl]sulfonylamino]butanedioate Openeye Name: ditert-butyl 2-[[4-(4-carbamimidoylphenoxy)carbonylphenyl]sulfonylamino]butanedioate CAS Name: 2-[[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]sulfonylamino]butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[4-(4-carbamimidoylphenoxy)carbonylphenyl]sulfonylamino]butanedioate Traditional Name: 2-[[4-(4-amidinophenoxy)carbonylphenyl]sulfonylamino]succinic acid ditert-butyl ester Formula: C26H33N3O8S MolecularWeight: 547.62052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C26H33N3O8S/c1-25(2,3)36-21(30)15-20(24(32)37-26(4,5)6)29-38(33,34)19-13-9-17(10-14-19)23(31)35-18-11-7-16(8-12-18)22(27)28/h7-14,20,29H,15H2,1-6H3,(H3,27,28)