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

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-butyl-urea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-butyl-urea CAS Name: 1-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-butylurea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-butylurea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-butyl-urea Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCCCNC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H29N3O3S/c1-3-4-11-19-18(22)20-16-10-9-15(2)17(14-16)25(23,24)21-12-7-5-6-8-13-21/h9-10,14H,3-8,11-13H2,1-2H3,(H2,19,20,22)