5-(4-ethylsulfonylpiperazin-1-yl)-N-(furan-2-ylmethyl)-2-nitro-aniline

Systemtic Name: 5-(4-ethylsulfonylpiperazin-1-yl)-N-(furan-2-ylmethyl)-2-nitro-aniline Openeye Name: 5-(4-ethylsulfonylpiperazin-1-yl)-N-(2-furylmethyl)-2-nitro-aniline CAS Name: 5-(4-ethylsulfonyl-1-piperazinyl)-N-(2-furanylmethyl)-2-nitroaniline IUPAC Name: 5-(4-ethylsulfonylpiperazin-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline Traditional Name: [5-(4-esylpiperazino)-2-nitro-phenyl]-(2-furfuryl)amine Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C17H22N4O5S/c1-2-27(24,25)20-9-7-19(8-10-20)14-5-6-17(21(22)23)16(12-14)18-13-15-4-3-11-26-15/h3-6,11-12,18H,2,7-10,13H2,1H3