2-[3-[1-(4-methylphenyl)sulfonyl-4-oxidanylidene-azetidin-2-yl]-4-oxidanylidene-4-piperidin-1-yl-butyl]guanidine hydrochloride

Systemtic Name: 2-[3-[1-(4-methylphenyl)sulfonyl-4-oxidanylidene-azetidin-2-yl]-4-oxidanylidene-4-piperidin-1-yl-butyl]guanidine hydrochloride Openeye Name: 2-[4-oxo-3-[4-oxo-1-(p-tolylsulfonyl)azetidin-2-yl]-4-(1-piperidyl)butyl]guanidine hydrochloride CAS Name: 2-[3-[1-(4-methylphenyl)sulfonyl-4-oxo-2-azetidinyl]-4-oxo-4-(1-piperidinyl)butyl]guanidine hydrochloride IUPAC Name: 2-[3-[1-(4-methylphenyl)sulfonyl-4-oxoazetidin-2-yl]-4-oxo-4-piperidin-1-ylbutyl]guanidine hydrochloride Traditional Name: 2-[4-keto-3-(4-keto-1-tosyl-azetidin-2-yl)-4-piperidino-butyl]guanidine hydrochloride Formula: C20H30ClN5O4S MolecularWeight: 472.0013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC2=O)C(CCN=C(N)N)C(=O)N3CCCCC3.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC2=O)C(CCN=C(N)N)C(=O)N3CCCCC3.Cl

InChI

InChI=1S/C20H29N5O4S.ClH/c1-14-5-7-15(8-6-14)30(28,29)25-17(13-18(25)26)16(9-10-23-20(21)22)19(27)24-11-3-2-4-12-24;/h5-8,16-17H,2-4,9-13H2,1H3,(H4,21,22,23);1H