1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O3S/c30-26(28-17-7-16-27(20-21-28)22-24-8-3-1-4-9-24)15-12-23-10-13-25(14-11-23)33(31,32)29-18-5-2-6-19-29/h1,3-4,8-11,13-14H,2,5-7,12,15-22H2