1-(3-carbamimidoylphenyl)-3-[1-(2-propan-2-ylsulfonylpiperidin-4-yl)cycloheptyl]urea

Systemtic Name: 1-(3-carbamimidoylphenyl)-3-[1-(2-propan-2-ylsulfonylpiperidin-4-yl)cycloheptyl]urea Openeye Name: 1-(3-carbamimidoylphenyl)-3-[1-(2-isopropylsulfonyl-4-piperidyl)cycloheptyl]urea CAS Name: 1-(3-carbamimidoylphenyl)-3-[1-(2-propan-2-ylsulfonyl-4-piperidinyl)cycloheptyl]urea IUPAC Name: 1-(3-carbamimidoylphenyl)-3-[1-(2-propan-2-ylsulfonylpiperidin-4-yl)cycloheptyl]urea Traditional Name: 1-(3-amidinophenyl)-3-[1-(2-isopropylsulfonyl-4-piperidyl)cycloheptyl]urea Formula: C23H37N5O3S MolecularWeight: 463.63658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CC(CCN1)C2(CCCCCC2)NC(=O)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)S(=O)(=O)C1CC(CCN1)C2(CCCCCC2)NC(=O)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H37N5O3S/c1-16(2)32(30,31)20-15-18(10-13-26-20)23(11-5-3-4-6-12-23)28-22(29)27-19-9-7-8-17(14-19)21(24)25/h7-9,14,16,18,20,26H,3-6,10-13,15H2,1-2H3,(H3,24,25)(H2,27,28,29)