(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone

Systemtic Name: (4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone Openeye Name: [4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-[1-(4-pyridyl)-4-piperidyl]methanone CAS Name: [4-(2-naphthalenylsulfonyl)-1,4-diazepan-1-yl]-(1-pyridin-4-yl-4-piperidinyl)methanone IUPAC Name: (4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone Traditional Name: [4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-[1-(4-pyridyl)-4-piperidyl]methanone Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C26H30N4O3S/c31-26(22-10-16-28(17-11-22)24-8-12-27-13-9-24)29-14-3-15-30(19-18-29)34(32,33)25-7-6-21-4-1-2-5-23(21)20-25/h1-2,4-9,12-13,20,22H,3,10-11,14-19H2