(2-azanyl-2-oxidanylidene-ethyl)-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]anilino]-2-oxo-ethyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]anilino]-2-oxoethyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[2-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylanilino]-2-keto-ethyl]-isopropyl-ammonium Formula: C20H33N4O4S+ MolecularWeight: 425.56542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+](CC(=O)N)C(C)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+](CC(=O)N)C(C)C)C

InChI

InChI=1S/C20H32N4O4S/c1-14(2)23(12-19(21)25)13-20(26)22-17-5-7-18(8-6-17)29(27,28)24-10-15(3)9-16(4)11-24/h5-8,14-16H,9-13H2,1-4H3,(H2,21,25)(H,22,26)/p+1/t15-,16-/m1/s1