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2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-nitrophenyl)ethanamide

2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-nitrophenyl)ethanamide

Systemtic Name:2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-nitrophenyl)ethanamide
Openeye Name:2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3-nitrophenyl)acetamide
CAS Name:2-[3-(1-azepanylsulfonyl)anilino]-N-(3-nitrophenyl)acetamide
IUPAC Name:2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3-nitrophenyl)acetamide
Traditional Name:2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3-nitrophenyl)acetamide
Formula: C20H24N4O5S
MolecularWeight: 432.49336
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C20H24N4O5S/c25-20(22-17-8-5-9-18(13-17)24(26)27)15-21-16-7-6-10-19(14-16)30(28,29)23-11-3-1-2-4-12-23/h5-10,13-14,21H,1-4,11-12,15H2,(H,22,25)


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