1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenyl)urea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(o-tolyl)urea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenyl)urea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(o-tolyl)urea Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O3S/c1-16-8-4-5-9-19(16)22-20(24)21-17-10-12-18(13-11-17)27(25,26)23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H2,21,22,24)