N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)cycloheptanamine

Systemtic Name: N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)cycloheptanamine Openeye Name: N-(4-morpholinosulfonyl-2-nitro-phenyl)cycloheptanamine CAS Name: N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]cycloheptanamine IUPAC Name: N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)cycloheptanamine Traditional Name: cycloheptyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5S/c21-20(22)17-13-15(26(23,24)19-9-11-25-12-10-19)7-8-16(17)18-14-5-3-1-2-4-6-14/h7-8,13-14,18H,1-6,9-12H2