[5-(phenylsulfonyl)-2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-yl-methanone

Systemtic Name: [5-(phenylsulfonyl)-2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-yl-methanone Openeye Name: [5-(benzenesulfonyl)-2-(1-piperidyl)-4-(4-pyridylmethylamino)phenyl]-piperazin-1-yl-methanone CAS Name: [5-(benzenesulfonyl)-2-(1-piperidinyl)-4-(pyridin-4-ylmethylamino)phenyl]-(1-piperazinyl)methanone IUPAC Name: [5-(benzenesulfonyl)-2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-ylmethanone Traditional Name: [5-besyl-2-piperidino-4-(4-pyridylmethylamino)phenyl]-piperazino-methanone Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2C(=O)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4)NCC5=CC=NC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2C(=O)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4)NCC5=CC=NC=C5

InChI

InChI=1S/C28H33N5O3S/c34-28(33-17-13-30-14-18-33)24-19-27(37(35,36)23-7-3-1-4-8-23)25(31-21-22-9-11-29-12-10-22)20-26(24)32-15-5-2-6-16-32/h1,3-4,7-12,19-20,30-31H,2,5-6,13-18,21H2