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4-(azepan-1-ylsulfonyl)-2-nitro-N-(4-phenoxybutyl)aniline

4-(azepan-1-ylsulfonyl)-2-nitro-N-(4-phenoxybutyl)aniline

Systemtic Name:4-(azepan-1-ylsulfonyl)-2-nitro-N-(4-phenoxybutyl)aniline
Openeye Name:4-(azepan-1-ylsulfonyl)-2-nitro-N-(4-phenoxybutyl)aniline
CAS Name:4-(1-azepanylsulfonyl)-2-nitro-N-(4-phenoxybutyl)aniline
IUPAC Name:4-(azepan-1-ylsulfonyl)-2-nitro-N-(4-phenoxybutyl)aniline
Traditional Name:[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(4-phenoxybutyl)amine
Formula: C22H29N3O5S
MolecularWeight: 447.54776
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCOC3=CC=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCOC3=CC=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C22H29N3O5S/c26-25(27)22-18-20(31(28,29)24-15-7-1-2-8-16-24)12-13-21(22)23-14-6-9-17-30-19-10-4-3-5-11-19/h3-5,10-13,18,23H,1-2,6-9,14-17H2


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