4-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-morpholinoethyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(4-morpholinyl)ethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(2-morpholinoethyl)amine Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O5S/c23-22(24)18-15-16(28(25,26)21-8-3-1-2-4-9-21)5-6-17(18)19-7-10-20-11-13-27-14-12-20/h5-6,15,19H,1-4,7-14H2