N-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(2S)-2-(2-furyl)-2-(1-piperidyl)ethyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidinyl)ethyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: [(2S)-2-(2-furyl)-2-piperidino-ethyl]-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)[C@@H](CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C22H30N4O5S/c27-26(28)20-16-18(32(29,30)25-13-5-2-6-14-25)9-10-19(20)23-17-21(22-8-7-15-31-22)24-11-3-1-4-12-24/h7-10,15-16,21,23H,1-6,11-14,17H2/t21-/m0/s1