1-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonylphenyl]-3-propan-2-yl-urea

Systemtic Name: 1-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonylphenyl]-3-propan-2-yl-urea Openeye Name: 1-[3-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]-3-isopropyl-urea CAS Name: 1-[3-[[4-(1-azepanylsulfonyl)-1-piperazinyl]-oxomethyl]phenyl]-3-propan-2-ylurea IUPAC Name: 1-[3-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea Traditional Name: 1-[3-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]-3-isopropyl-urea Formula: C21H33N5O4S MolecularWeight: 451.58282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H33N5O4S/c1-17(2)22-21(28)23-19-9-7-8-18(16-19)20(27)24-12-14-26(15-13-24)31(29,30)25-10-5-3-4-6-11-25/h7-9,16-17H,3-6,10-15H2,1-2H3,(H2,22,23,28)