1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-nitrophenyl)urea CAS Name: 1-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-nitrophenyl)urea Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N4O5S/c1-15-6-7-17(14-19(15)30(28,29)23-12-4-2-3-5-13-23)22-20(25)21-16-8-10-18(11-9-16)24(26)27/h6-11,14H,2-5,12-13H2,1H3,(H2,21,22,25)