2-[(4S)-5-[4-(12-azanyldodecyl)piperazin-1-yl]-4-[(3-methylphenyl)sulfonylamino]-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[(4S)-5-[4-(12-azanyldodecyl)piperazin-1-yl]-4-[(3-methylphenyl)sulfonylamino]-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[(4S)-5-[4-(12-aminododecyl)piperazin-1-yl]-4-(m-tolylsulfonylamino)-5-oxo-pentyl]guanidine CAS Name: 2-[(4S)-5-[4-(12-aminododecyl)-1-piperazinyl]-4-[(3-methylphenyl)sulfonylamino]-5-oxopentyl]guanidine IUPAC Name: 2-[(4S)-5-[4-(12-aminododecyl)piperazin-1-yl]-4-[(3-methylphenyl)sulfonylamino]-5-oxopentyl]guanidine Traditional Name: 2-[(4S)-5-[4-(12-aminododecyl)piperazino]-5-keto-4-(m-tolylsulfonylamino)pentyl]guanidine Formula: C29H53N7O3S MolecularWeight: 579.84122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)N2CCN(CC2)CCCCCCCCCCCCN

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)CCCCCCCCCCCCN

InChI

InChI=1S/C29H53N7O3S/c1-25-14-12-15-26(24-25)40(38,39)34-27(16-13-18-33-29(31)32)28(37)36-22-20-35(21-23-36)19-11-9-7-5-3-2-4-6-8-10-17-30/h12,14-15,24,27,34H,2-11,13,16-23,30H2,1H3,(H4,31,32,33)/t27-/m0/s1