1-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-3-(4-nitrophenyl)urea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-3-(4-nitrophenyl)urea Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O5S/c20-17-10-9-16(30(28,29)23-11-3-1-2-4-12-23)13-18(17)22-19(25)21-14-5-7-15(8-6-14)24(26)27/h5-10,13H,1-4,11-12H2,(H2,21,22,25)