N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(2R)-4-methyl-2-(4-morpholin-4-iumyl)pentyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(2R)-4-methyl-2-morpholin-4-ium-4-ylpentyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: [(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C21H35N4O5S+ MolecularWeight: 455.5914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

CC(C)C[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C21H34N4O5S/c1-17(2)14-18(23-10-12-30-13-11-23)16-22-20-7-6-19(15-21(20)25(26)27)31(28,29)24-8-4-3-5-9-24/h6-7,15,17-18,22H,3-5,8-14,16H2,1-2H3/p+1/t18-/m1/s1