N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (1-morpholin-4-ium-4-ylcyclohexyl)methyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C21H33N4O5S+ MolecularWeight: 453.57552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])[NH+]4CCOCC4

InChI

InChI=1S/C21H32N4O5S/c26-25(27)20-16-18(31(28,29)24-10-4-5-11-24)6-7-19(20)22-17-21(8-2-1-3-9-21)23-12-14-30-15-13-23/h6-7,16,22H,1-5,8-15,17H2/p+1