N-[3-oxidanylidene-1-[8-(prop-1-en-2-ylamino)octylamino]butan-2-yl]benzenesulfonamide

Systemtic Name: N-[3-oxidanylidene-1-[8-(prop-1-en-2-ylamino)octylamino]butan-2-yl]benzenesulfonamide Openeye Name: N-[1-[[8-(isopropenylamino)octylamino]methyl]-2-oxo-propyl]benzenesulfonamide CAS Name: N-[1-[8-(1-methylethenylamino)octylamino]-3-oxobutan-2-yl]benzenesulfonamide IUPAC Name: N-[3-oxo-1-[8-(prop-1-en-2-ylamino)octylamino]butan-2-yl]benzenesulfonamide Traditional Name: N-[1-[[8-(isopropenylamino)octylamino]methyl]-2-keto-propyl]benzenesulfonamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)NCCCCCCCCNCC(C(=O)C)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=C)NCCCCCCCCNCC(C(=O)C)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H35N3O3S/c1-18(2)23-16-12-7-5-4-6-11-15-22-17-21(19(3)25)24-28(26,27)20-13-9-8-10-14-20/h8-10,13-14,21-24H,1,4-7,11-12,15-17H2,2-3H3