N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C23H32N5O5S+ MolecularWeight: 490.59568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)C3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O5S/c1-4-26-17-18(33-23-8-6-5-7-21(23)26)16-25(3)20-10-9-19(15-22(20)28(29)30)34(31,32)27-13-11-24(2)12-14-27/h5-10,15,18H,4,11-14,16-17H2,1-3H3/p+1/t18-/m1/s1