diethyl-[[4-[[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[[(3S)-1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[oxo-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[[(3S)-1-(2-thienylsulfonyl)nipecotoyl]amino]methyl]benzyl]ammonium Formula: C22H32N3O3S2+ MolecularWeight: 450.63778

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H31N3O3S2/c1-3-24(4-2)16-19-11-9-18(10-12-19)15-23-22(26)20-7-5-13-25(17-20)30(27,28)21-8-6-14-29-21/h6,8-12,14,20H,3-5,7,13,15-17H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1