N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-morpholin-4-ium-4-ylethyl)-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C22H30N5O5S+ MolecularWeight: 476.5691

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5S/c28-27(29)22-7-6-19(18-21(22)23-8-9-24-14-16-32-17-15-24)25-10-12-26(13-11-25)33(30,31)20-4-2-1-3-5-20/h1-7,18,23H,8-17H2/p+1