N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H29N4O6S+ MolecularWeight: 465.54316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C21H28N4O6S/c26-25(27)19-15-17(32(28,29)24-10-13-30-14-11-24)6-7-18(19)22-16-20(21-5-4-12-31-21)23-8-2-1-3-9-23/h4-7,12,15,20,22H,1-3,8-11,13-14,16H2/p+1/t20-/m0/s1