azepan-1-yl-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: azepan-1-yl-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)methanone Openeye Name: azepan-1-yl-[5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-phenyl]methanone CAS Name: 1-azepanyl-[5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: azepan-1-yl-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone Traditional Name: azepan-1-yl-(5-piperidinosulfonyl-2-pyrrolidino-phenyl)methanone Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

InChI

InChI=1S/C22H33N3O3S/c26-22(24-14-4-1-2-5-15-24)20-18-19(10-11-21(20)23-12-8-9-13-23)29(27,28)25-16-6-3-7-17-25/h10-11,18H,1-9,12-17H2