azanyl 7-azanyl-3-[(4-carbamimidoylphenyl)-(phenylsulfonyl)methyl]-2-ethyl-4,7-bis(oxidanylidene)heptanoate

Systemtic Name: azanyl 7-azanyl-3-[(4-carbamimidoylphenyl)-(phenylsulfonyl)methyl]-2-ethyl-4,7-bis(oxidanylidene)heptanoate Openeye Name: amino 7-amino-3-[benzenesulfonyl-(4-carbamimidoylphenyl)methyl]-2-ethyl-4,7-dioxo-heptanoate CAS Name: 7-amino-3-[benzenesulfonyl-(4-carbamimidoylphenyl)methyl]-2-ethyl-4,7-dioxoheptanoic acid amino ester IUPAC Name: amino 7-amino-3-[benzenesulfonyl-(4-carbamimidoylphenyl)methyl]-2-ethyl-4,7-dioxoheptanoate Traditional Name: 3-[(4-amidinophenyl)-besyl-methyl]-7-amino-2-ethyl-4,7-diketo-enanthic acid amino ester Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C1=CC=C(C=C1)C(=N)N)S(=O)(=O)C2=CC=CC=C2)C(=O)CCC(=O)N)C(=O)ON

Isomeric SMILES

CCC(C(C(C1=CC=C(C=C1)C(=N)N)S(=O)(=O)C2=CC=CC=C2)C(=O)CCC(=O)N)C(=O)ON

InChI

InChI=1S/C23H28N4O6S/c1-2-17(23(30)33-27)20(18(28)12-13-19(24)29)21(14-8-10-15(11-9-14)22(25)26)34(31,32)16-6-4-3-5-7-16/h3-11,17,20-21H,2,12-13,27H2,1H3,(H2,24,29)(H3,25,26)