4-(azepan-1-ylsulfonyl)-N,N-bis(2-methoxyethyl)-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N,N-bis(2-methoxyethyl)-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N,N-bis(2-methoxyethyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N,N-bis(2-methoxyethyl)-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N,N-bis(2-methoxyethyl)-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-bis(2-methoxyethyl)amine Formula: C18H29N3O6S MolecularWeight: 415.50436

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

COCCN(CCOC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H29N3O6S/c1-26-13-11-19(12-14-27-2)17-8-7-16(15-18(17)21(22)23)28(24,25)20-9-5-3-4-6-10-20/h7-8,15H,3-6,9-14H2,1-2H3