methyl 3-[[[4-[bis(azanyl)methylideneamino]phenyl]carbonyl-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]benzoate

Systemtic Name: methyl 3-[[[4-[bis(azanyl)methylideneamino]phenyl]carbonyl-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]benzoate Openeye Name: methyl 3-[[[1-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpyrrolidin-3-yl]-(4-guanidinobenzoyl)amino]methyl]benzoate CAS Name: 3-[[[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3-pyrrolidinyl]-[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]-[4-(diaminomethylideneamino)benzoyl]amino]methyl]benzoate Traditional Name: 3-[[[1-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpyrrolidin-3-yl]-(4-guanidinobenzoyl)amino]methyl]benzoic acid methyl ester Formula: C29H30ClN5O5S MolecularWeight: 596.097

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN(C2CCN(C2)S(=O)(=O)C=CC3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)N=C(N)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN(C2CCN(C2)S(=O)(=O)/C=C/C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)N=C(N)N

InChI

InChI=1S/C29H30ClN5O5S/c1-40-28(37)23-4-2-3-21(17-23)18-35(27(36)22-7-11-25(12-8-22)33-29(31)32)26-13-15-34(19-26)41(38,39)16-14-20-5-9-24(30)10-6-20/h2-12,14,16-17,26H,13,15,18-19H2,1H3,(H4,31,32,33)/b16-14+