(1-azanyl-1-oxidanylidene-propan-2-yl) 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-16(20(22)25)29-21(26)18-8-5-9-19(14-18)30(27,28)24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3,(H2,22,25)