[[5-[bis(azanyl)methylideneamino]-1-(methylamino)-1-oxidanylidene-pentan-2-yl]amino] 4-methylbenzenesulfinate

Systemtic Name: [[5-[bis(azanyl)methylideneamino]-1-(methylamino)-1-oxidanylidene-pentan-2-yl]amino] 4-methylbenzenesulfinate Openeye Name: [[4-guanidino-1-(methylcarbamoyl)butyl]amino] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [[5-(diaminomethylideneamino)-1-(methylamino)-1-oxopentan-2-yl]amino] ester IUPAC Name: [[5-(diaminomethylideneamino)-1-(methylamino)-1-oxopentan-2-yl]amino] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [[4-guanidino-1-(methylcarbamoyl)butyl]amino] ester Formula: C14H23N5O3S MolecularWeight: 341.42912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)ONC(CCCN=C(N)N)C(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)ONC(CCCN=C(N)N)C(=O)NC

InChI

InChI=1S/C14H23N5O3S/c1-10-5-7-11(8-6-10)23(21)22-19-12(13(20)17-2)4-3-9-18-14(15)16/h5-8,12,19H,3-4,9H2,1-2H3,(H,17,20)(H4,15,16,18)