ethyl 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H28N4O6S MolecularWeight: 440.51382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O6S/c1-2-29-19(24)21-13-11-20(12-14-21)17-8-7-16(15-18(17)23(25)26)30(27,28)22-9-5-3-4-6-10-22/h7-8,15H,2-6,9-14H2,1H3