N-[3-[3-[bis(azanyl)methyl]phenyl]-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[3-[bis(azanyl)methyl]phenyl]-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-[[3-(diaminomethyl)phenyl]methyl]-2-oxo-2-(1-piperidyl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[3-(diaminomethyl)phenyl]-1-oxo-1-(1-piperidinyl)propan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[3-(diaminomethyl)phenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-[3-(diaminomethyl)benzyl]-2-keto-2-piperidino-ethyl]-4-methyl-benzenesulfonamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=CC=C2)C(N)N)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=CC=C2)C(N)N)C(=O)N3CCCCC3

InChI

InChI=1S/C22H30N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20-21,25H,2-4,12-13,15,23-24H2,1H3