[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)azanium

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)azanium Openeye Name: (2-isopropoxy-5-morpholinosulfonyl-phenyl)-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]ammonium CAS Name: [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyphenyl]ammonium IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)azanium Traditional Name: (2-isopropoxy-5-morpholinosulfonyl-phenyl)-[2-keto-2-[(3S)-3-methylpiperidino]ethyl]ammonium Formula: C21H34N3O5S+ MolecularWeight: 440.57676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH2+]C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH2+]C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C

InChI

InChI=1S/C21H33N3O5S/c1-16(2)29-20-7-6-18(30(26,27)24-9-11-28-12-10-24)13-19(20)22-14-21(25)23-8-4-5-17(3)15-23/h6-7,13,16-17,22H,4-5,8-12,14-15H2,1-3H3/p+1/t17-/m0/s1