1-[2-(azepan-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-ethyl-urea

Systemtic Name: 1-[2-(azepan-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-ethyl-urea Openeye Name: 1-[2-(azepan-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-ethyl-urea CAS Name: 1-[2-(1-azepanyl)-5-(1-piperidinylsulfonyl)phenyl]-3-ethylurea IUPAC Name: 1-[2-(azepan-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-ethylurea Traditional Name: 1-[2-(azepan-1-yl)-5-piperidinosulfonyl-phenyl]-3-ethyl-urea Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCCCC3

Isomeric SMILES

CCNC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCCCC3

InChI

InChI=1S/C20H32N4O3S/c1-2-21-20(25)22-18-16-17(28(26,27)24-14-8-5-9-15-24)10-11-19(18)23-12-6-3-4-7-13-23/h10-11,16H,2-9,12-15H2,1H3,(H2,21,22,25)