N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C22H30N3O5S2+ MolecularWeight: 480.6207

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O5S2/c26-31(27,20-8-10-21(11-9-20)32(28,29)25-12-4-5-13-25)23-22(19-6-2-1-3-7-19)18-24-14-16-30-17-15-24/h1-3,6-11,22-23H,4-5,12-18H2/p+1/t22-/m1/s1