diethyl-[(2S)-1-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]ethyl]-diethyl-ammonium Formula: C25H36N3O4S+ MolecularWeight: 474.63604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C25H35N3O4S/c1-4-27(5-2)22(17-20-11-7-6-8-12-20)19-26-25(29)21-13-14-23(32-3)24(18-21)33(30,31)28-15-9-10-16-28/h6-8,11-14,18,22H,4-5,9-10,15-17,19H2,1-3H3,(H,26,29)/p+1/t22-/m0/s1