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

Systemtic Name: 2-(4-nitrophenyl)sulfonyl-1-piperidin-4-yl-azepan-3-amine Openeye Name: 2-(4-nitrophenyl)sulfonyl-1-(4-piperidyl)azepan-3-amine CAS Name: 2-(4-nitrophenyl)sulfonyl-1-(4-piperidinyl)-3-azepanamine IUPAC Name: 2-(4-nitrophenyl)sulfonyl-1-piperidin-4-ylazepan-3-amine Traditional Name: [2-nosyl-1-(4-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-])C3CCNCC3

Isomeric SMILES

C1CCN(C(C(C1)N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CCNCC3

InChI

InChI=1S/C17H26N4O4S/c18-16-3-1-2-12-20(13-8-10-19-11-9-13)17(16)26(24,25)15-6-4-14(5-7-15)21(22)23/h4-7,13,16-17,19H,1-3,8-12,18H2