2-(4-nitrophenyl)sulfonyl-1-piperidin-3-yl-azepan-3-amine

Systemtic Name: 2-(4-nitrophenyl)sulfonyl-1-piperidin-3-yl-azepan-3-amine Openeye Name: 2-(4-nitrophenyl)sulfonyl-1-(3-piperidyl)azepan-3-amine CAS Name: 2-(4-nitrophenyl)sulfonyl-1-(3-piperidinyl)-3-azepanamine IUPAC Name: 2-(4-nitrophenyl)sulfonyl-1-piperidin-3-ylazepan-3-amine Traditional Name: [2-nosyl-1-(3-piperidyl)azepan-3-yl]amine Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C(C1)N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CCCNC3

Isomeric SMILES

C1CCN(C(C(C1)N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CCCNC3

InChI

InChI=1S/C17H26N4O4S/c18-16-5-1-2-11-20(14-4-3-10-19-12-14)17(16)26(24,25)15-8-6-13(7-9-15)21(22)23/h6-9,14,16-17,19H,1-5,10-12,18H2