2-[4-[4-[3-oxidanylidene-2-(phenylsulfonylamino)butyl]phenoxy]butyl]guanidine

Systemtic Name: 2-[4-[4-[3-oxidanylidene-2-(phenylsulfonylamino)butyl]phenoxy]butyl]guanidine Openeye Name: 2-[4-[4-[2-(benzenesulfonamido)-3-oxo-butyl]phenoxy]butyl]guanidine CAS Name: 2-[4-[4-[2-(benzenesulfonamido)-3-oxobutyl]phenoxy]butyl]guanidine IUPAC Name: 2-[4-[4-[2-(benzenesulfonamido)-3-oxobutyl]phenoxy]butyl]guanidine Traditional Name: 2-[4-[4-[2-(benzenesulfonamido)-3-keto-butyl]phenoxy]butyl]guanidine Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=C(C=C1)OCCCCN=C(N)N)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(CC1=CC=C(C=C1)OCCCCN=C(N)N)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28N4O4S/c1-16(26)20(25-30(27,28)19-7-3-2-4-8-19)15-17-9-11-18(12-10-17)29-14-6-5-13-24-21(22)23/h2-4,7-12,20,25H,5-6,13-15H2,1H3,(H4,22,23,24)