2-[4-azanyl-2-(4-methylphenyl)sulfonyl-5-oxidanylidene-5-[2-(3-oxidanylidene-2-phenyl-butanoyl)pyrrolidin-1-yl]pentyl]guanidine

Systemtic Name: 2-[4-azanyl-2-(4-methylphenyl)sulfonyl-5-oxidanylidene-5-[2-(3-oxidanylidene-2-phenyl-butanoyl)pyrrolidin-1-yl]pentyl]guanidine Openeye Name: 2-[4-amino-5-oxo-5-[2-(3-oxo-2-phenyl-butanoyl)pyrrolidin-1-yl]-2-(p-tolylsulfonyl)pentyl]guanidine CAS Name: 2-[4-amino-5-[2-(1,3-dioxo-2-phenylbutyl)-1-pyrrolidinyl]-2-(4-methylphenyl)sulfonyl-5-oxopentyl]guanidine IUPAC Name: 2-[4-amino-2-(4-methylphenyl)sulfonyl-5-oxo-5-[2-(3-oxo-2-phenylbutanoyl)pyrrolidin-1-yl]pentyl]guanidine Traditional Name: 2-[4-amino-5-keto-5-[2-(3-keto-2-phenyl-butanoyl)pyrrolidino]-2-tosyl-pentyl]guanidine Formula: C27H35N5O5S MolecularWeight: 541.6623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC(C(=O)N2CCCC2C(=O)C(C3=CC=CC=C3)C(=O)C)N)CN=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC(C(=O)N2CCCC2C(=O)C(C3=CC=CC=C3)C(=O)C)N)CN=C(N)N

InChI

InChI=1S/C27H35N5O5S/c1-17-10-12-20(13-11-17)38(36,37)21(16-31-27(29)30)15-22(28)26(35)32-14-6-9-23(32)25(34)24(18(2)33)19-7-4-3-5-8-19/h3-5,7-8,10-13,21-24H,6,9,14-16,28H2,1-2H3,(H4,29,30,31)