1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea CAS Name: 1-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]urea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C26H35N3O3S/c1-19(2)21-11-10-12-22(17-21)26(4,5)28-25(30)27-23-14-13-20(3)24(18-23)33(31,32)29-15-8-6-7-9-16-29/h10-14,17-18H,1,6-9,15-16H2,2-5H3,(H2,27,28,30)