N-[3-(cyclopropylmethoxy)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[3-(cyclopropylmethoxy)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[3-(cyclopropylmethoxy)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[3-(cyclopropylmethoxy)propyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[3-(cyclopropylmethoxy)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 3-(cyclopropylmethoxy)propyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C18H29N4O5S+ MolecularWeight: 413.51166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCOCC3CC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCOCC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O5S/c1-20-8-10-21(11-9-20)28(25,26)16-5-6-17(18(13-16)22(23)24)19-7-2-12-27-14-15-3-4-15/h5-6,13,15,19H,2-4,7-12,14H2,1H3/p+1