[4-(azepan-1-ylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-pyridylmethyl)piperazino]methanone Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H30N4O3S/c28-23(26-17-15-25(16-18-26)19-20-9-11-24-12-10-20)21-5-7-22(8-6-21)31(29,30)27-13-3-1-2-4-14-27/h5-12H,1-4,13-19H2